Showing NP-Card for Plantazolicin (NP0010356)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 19:54:19 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:05:52 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010356 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Plantazolicin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Plantazolicin is found in Bacillus. It was first documented in 2011 (PMID: 21950656). Based on a literature review very few articles have been published on Plantazolicin A (PMID: 27619732) (PMID: 26473502) (PMID: 25424526) (PMID: 23761292) (PMID: 21568297). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0010356 (Plantazolicin)
Mrv1652307012121323D
164174 0 0 0 0 999 V2000
0.6387 -4.0805 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1881 -3.5133 2.7679 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7308 -4.4686 1.6825 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3461 -5.8216 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -4.0956 0.3121 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7792 -2.7566 -0.1182 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5582 -1.7757 -0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 -1.8897 -1.0864 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.5390 -1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -0.1922 -0.5765 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 0.8652 -1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 1.4265 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9267 1.0274 0.2313 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1688 1.5854 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1392 1.2872 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4665 1.6381 1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9687 0.8732 2.8738 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.4998 0.1820 3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9740 -0.4236 4.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6528 -0.6008 4.7854 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4475 -1.1010 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9701 -0.9624 5.7959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -1.2762 6.8365 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 -1.9088 8.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 -2.2777 9.4823 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1902 -3.2337 9.2095 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0215 -3.6500 10.3744 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7835 -2.5189 10.9898 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6185 -3.0665 12.0862 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9009 -2.7755 12.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6458 -3.3311 13.1629 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5454 -1.9777 11.1387 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 -1.0257 10.1133 N 0 0 1 0 0 0 0 0 0 0 0 0
1.3467 -0.2316 9.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 -0.2666 10.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8133 -1.8618 7.7418 N 0 0 0 0 0 0 0 0 0 0 0 0
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-5.5923 -0.8338 5.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0494 -0.8389 5.9485 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7428 0.5601 2.3354 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2313 2.3112 -0.8094 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0694 2.2710 -1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8047 3.0168 -2.7294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1032 1.1390 -2.1838 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9642 0.3302 -2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1168 0.3564 -3.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -4.9925 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5984 -4.6941 -1.8695 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 -5.9855 -0.2907 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2499 -6.7390 -1.3063 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1895 -5.6607 -1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7556 -4.6407 -2.6071 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8045 -3.8264 -2.9385 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6043 -2.6194 -3.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4053 -1.6529 -4.1656 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7253 -0.7360 -4.8559 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0264 0.5669 -5.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1327 1.3465 -6.0985 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6807 2.5096 -6.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 3.5925 -7.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3359 4.8170 -7.4776 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2943 5.4795 -8.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1705 6.8855 -8.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 7.3915 -8.9569 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3402 8.8337 -9.1745 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5510 9.5285 -8.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 10.6777 -7.7963 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6698 8.8348 -7.6329 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 9.3542 -6.6382 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8477 8.3308 -5.5604 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4958 7.1043 -6.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7116 6.0401 -6.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3813 4.9193 -6.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7417 4.8337 -7.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5395 5.8669 -6.5864 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7373 -2.5323 2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2862 -3.5137 2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6467 -6.4839 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7293 -6.3323 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2513 -5.7110 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 -4.3242 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2321 -2.5232 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0204 2.2312 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9730 -0.5302 4.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6599 -4.1968 8.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8572 -2.9169 8.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 -4.1151 11.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 -4.4022 10.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4223 -1.9740 10.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1288 -1.8016 11.4976 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6950 -3.2090 13.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1899 -3.8710 13.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2681 -1.0025 10.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4059 -2.3561 10.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9932 -0.9210 8.6751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0421 0.3054 9.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7856 0.5018 8.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5282 -0.6292 9.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0294 -0.5393 11.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5673 0.8095 10.3204 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5843 -0.5139 5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4222 -1.9012 6.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3934 -0.1865 6.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2622 2.4367 -3.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7160 3.4304 -3.1823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0860 3.8865 -2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 -0.5387 -3.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1934 1.2963 -3.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0434 0.2920 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6332 -6.2667 0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0510 9.1980 -10.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8626 7.8628 -8.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1814 10.2887 -6.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8099 8.0590 -5.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3907 8.7365 -4.6875 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6307 6.0981 -6.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7877 4.0748 -7.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2855 3.9684 -7.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6058 5.8578 -6.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4700 7.7914 -5.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7240 10.1673 -5.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9803 9.9236 -8.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.4178 9.9577 -10.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7674 4.7777 -8.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7277 3.1666 -5.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5712 -9.6714 -1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0010356 (Plantazolicin)
RDKit 3D
164174 0 0 0 0 0 0 0 0999 V2000
0.6387 -4.0805 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1881 -3.5133 2.7679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7308 -4.4686 1.6825 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3461 -5.8216 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -4.0956 0.3121 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7792 -2.7566 -0.1182 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5582 -1.7757 -0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 -1.8897 -1.0864 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.5390 -1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -0.1922 -0.5765 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 0.8652 -1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 1.4265 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9267 1.0274 0.2313 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1688 1.5854 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1392 1.2872 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4665 1.6381 1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9687 0.8732 2.8738 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.4998 0.1820 3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9740 -0.4236 4.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6528 -0.6008 4.7854 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4475 -1.1010 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 -1.3768 6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 -0.9624 5.7959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -1.2762 6.8365 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 -1.9088 8.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 -2.2777 9.4823 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1902 -3.2337 9.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0215 -3.6500 10.3744 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7835 -2.5189 10.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6185 -3.0665 12.0862 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9009 -2.7755 12.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6458 -3.3311 13.1629 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.4819 -1.0257 10.1133 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3467 -0.2316 9.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1168 0.3564 -3.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
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12 13 1 0
13 14 2 0
14 15 1 0
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16 17 1 0
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95163 1 0
95164 1 0
M END
3D SDF for NP0010356 (Plantazolicin)
Mrv1652307012121323D
164174 0 0 0 0 999 V2000
0.6387 -4.0805 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1881 -3.5133 2.7679 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7308 -4.4686 1.6825 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3461 -5.8216 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -4.0956 0.3121 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7792 -2.7566 -0.1182 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5582 -1.7757 -0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 -1.8897 -1.0864 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.5390 -1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -0.1922 -0.5765 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 0.8652 -1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 1.4265 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9267 1.0274 0.2313 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1688 1.5854 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1392 1.2872 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4665 1.6381 1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9687 0.8732 2.8738 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.4998 0.1820 3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9740 -0.4236 4.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6528 -0.6008 4.7854 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4475 -1.1010 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 -1.3768 6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 -0.9624 5.7959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -1.2762 6.8365 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 -1.9088 8.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 -2.2777 9.4823 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1902 -3.2337 9.2095 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0215 -3.6500 10.3744 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7835 -2.5189 10.9898 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6185 -3.0665 12.0862 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9009 -2.7755 12.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6458 -3.3311 13.1629 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5454 -1.9777 11.1387 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 -1.0257 10.1133 N 0 0 1 0 0 0 0 0 0 0 0 0
1.3467 -0.2316 9.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 -0.2666 10.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.2313 2.3112 -0.8094 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0694 2.2710 -1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.1032 1.1390 -2.1838 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9642 0.3302 -2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1168 0.3564 -3.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -4.9925 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5984 -4.6941 -1.8695 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 -5.9855 -0.2907 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.5510 9.5285 -8.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 10.6777 -7.7963 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6698 8.8348 -7.6329 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 9.3542 -6.6382 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8477 8.3308 -5.5604 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4958 7.1043 -6.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7116 6.0401 -6.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3813 4.9193 -6.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7417 4.8337 -7.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5395 5.8669 -6.5864 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8447 6.9802 -6.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8998 9.7008 -7.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1233 9.4852 -8.4322 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2391 4.5642 -7.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6681 3.4903 -7.4386 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9538 2.4422 -5.9366 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1057 1.2598 -5.3282 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3885 -1.2020 -4.8401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3811 -2.2914 -4.1734 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8679 -4.4150 -2.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0171 -3.5472 4.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4881 -3.9927 4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8495 -5.1758 4.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7373 -2.5323 2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2862 -3.5137 2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3576 -4.5944 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6467 -6.4839 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7293 -6.3323 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2513 -5.7110 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 -4.3242 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2321 -2.5232 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0204 2.2312 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6599 -4.1968 8.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8572 -2.9169 8.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 -4.1151 11.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.0421 0.3054 9.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.3934 -0.1865 6.7578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2622 2.4367 -3.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7160 3.4304 -3.1823 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0860 3.8865 -2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1174 -0.5387 -3.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1934 1.2963 -3.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0434 0.2920 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.6307 6.0981 -6.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7877 4.0748 -7.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2855 3.9684 -7.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6058 5.8578 -6.5813 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4700 7.7914 -5.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7240 10.1673 -5.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9803 9.9236 -8.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.7674 4.7777 -8.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7277 3.1666 -5.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7592 -7.5431 0.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3408 -8.3360 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.2824 -10.1378 1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
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2100 1 0 0 0 0
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95163 1 0 0 0 0
95164 1 0 0 0 0
M END
> <DATABASE_ID>
NP0010356
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N=C(O[C@]1([H])C([H])([H])[H])C1=C([H])OC(=N1)C1=C([H])OC(=N1)C1=C([H])OC(=N1)C1=C([H])OC(=N1)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1=C(OC(=N1)C1=C(OC(=N1)C1=C([H])SC(=N1)C1=C(OC(=N1)C1=C([H])SC(=N1)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
> <INCHI_IDENTIFIER>
InChI=1S/C63H69N17O13S2/c1-11-28(3)43(74-51(83)46-31(6)93-59(77-46)47-32(7)91-56(78-47)41-27-95-61(73-41)48-33(8)92-57(79-48)40-26-94-60(72-40)42(80(9)10)19-16-20-66-63(64)65)49(81)75-44(29(4)12-2)58-71-38(24-89-58)54-69-36(22-87-54)52-68-37(23-86-52)53-70-39(25-88-53)55-76-45(30(5)90-55)50(82)67-35(62(84)85)21-34-17-14-13-15-18-34/h13-15,17-18,22-30,35,42-45H,11-12,16,19-21H2,1-10H3,(H,67,82)(H,74,83)(H,75,81)(H,84,85)(H4,64,65,66)/t28-,29-,30+,35-,42+,43-,44-,45-/m0/s1
> <INCHI_KEY>
SKALCVOFYPVXLA-DUJKJIRYSA-N
> <FORMULA>
C63H69N17O13S2
> <MOLECULAR_WEIGHT>
1336.47
> <EXACT_MASS>
1335.470217698
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
164
> <JCHEM_AVERAGE_POLARIZABILITY>
143.15119573766452
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
6
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-{[(4S,5R)-2-{2-[2-(2-{2-[(1S,2S)-1-[(2S,3S)-2-[(2-{2-[2-(2-{2-[(1R)-4-[(diaminomethylidene)amino]-1-(dimethylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl}-5-methyl-1,3-oxazol-4-yl)formamido]-3-methylpentanamido]-2-methylbutyl]-1,3-oxazol-4-yl}-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl}-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}-3-phenylpropanoic acid
> <ALOGPS_LOGP>
5.65
> <JCHEM_LOGP>
5.727223919918518
> <ALOGPS_LOGS>
-4.72
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
11
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
11.804836001449495
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.609030017736741
> <JCHEM_PKA_STRONGEST_BASIC>
11.251527586358423
> <JCHEM_POLAR_SURFACE_AREA>
421.8199999999999
> <JCHEM_REFRACTIVITY>
411.09279999999995
> <JCHEM_ROTATABLE_BOND_COUNT>
28
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.56e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(4S,5R)-2-{2-[2-(2-{2-[(1S,2S)-1-[(2S,3S)-2-[(2-{2-[2-(2-{2-[(1R)-4-[(diaminomethylidene)amino]-1-(dimethylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl}-5-methyl-1,3-oxazol-4-yl)formamido]-3-methylpentanamido]-2-methylbutyl]-1,3-oxazol-4-yl}-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl}-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}-3-phenylpropanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010356 (Plantazolicin)
RDKit 3D
164174 0 0 0 0 0 0 0 0999 V2000
0.6387 -4.0805 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1881 -3.5133 2.7679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7308 -4.4686 1.6825 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3461 -5.8216 2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1912 -4.0956 0.3121 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7792 -2.7566 -0.1182 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5582 -1.7757 -0.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7060 -1.8897 -1.0864 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 -0.5390 -1.1481 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3732 -0.1922 -0.5765 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9134 0.8652 -1.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 1.4265 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9267 1.0274 0.2313 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1688 1.5854 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1392 1.2872 1.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4665 1.6381 1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9687 0.8732 2.8738 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.4998 0.1820 3.3241 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9740 -0.4236 4.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6528 -0.6008 4.7854 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4475 -1.1010 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 -1.3768 6.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 -0.9624 5.7959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -1.2762 6.8365 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.5710 -1.9088 8.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0819 -2.2777 9.4823 C 0 0 1 0 0 0 0 0 0 0 0 0
1.1902 -3.2337 9.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0215 -3.6500 10.3744 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7835 -2.5189 10.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6185 -3.0665 12.0862 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9009 -2.7755 12.0844 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6458 -3.3311 13.1629 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5454 -1.9777 11.1387 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 -1.0257 10.1133 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3467 -0.2316 9.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7111 -0.2666 10.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8133 -1.8618 7.7418 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6235 -1.2350 6.5431 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5923 -0.8338 5.6981 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0494 -0.8389 5.9485 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7428 0.5601 2.3354 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2313 2.3112 -0.8094 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0694 2.2710 -1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8047 3.0168 -2.7294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1032 1.1390 -2.1838 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9642 0.3302 -2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1168 0.3564 -3.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -4.9925 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5984 -4.6941 -1.8695 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4656 -5.9855 -0.2907 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2499 -6.7390 -1.3063 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.1895 -5.6607 -1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7556 -4.6407 -2.6071 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8045 -3.8264 -2.9385 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6043 -2.6194 -3.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4053 -1.6529 -4.1656 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7253 -0.7360 -4.8559 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0264 0.5669 -5.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1327 1.3465 -6.0985 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6807 2.5096 -6.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9670 3.5925 -7.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3359 4.8170 -7.4776 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2943 5.4795 -8.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1705 6.8855 -8.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1173 7.3915 -8.9569 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3402 8.8337 -9.1745 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5510 9.5285 -8.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2846 10.6777 -7.7963 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6698 8.8348 -7.6329 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 9.3542 -6.6382 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8477 8.3308 -5.5604 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4958 7.1043 -6.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7116 6.0401 -6.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3813 4.9193 -6.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7417 4.8337 -7.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5395 5.8669 -6.5864 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8447 6.9802 -6.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8998 9.7008 -7.2351 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1233 9.4852 -8.4322 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8592 10.2782 -6.3814 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 9.0501 -8.8746 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5760 9.2711 -10.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1451 7.8461 -8.2347 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2391 4.5642 -7.9898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6681 3.4903 -7.4386 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9538 2.4422 -5.9366 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1057 1.2598 -5.3282 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3885 -1.2020 -4.8401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3811 -2.2914 -4.1734 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8679 -4.4150 -2.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4402 -5.5113 -1.7256 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0277 -7.8456 -0.7127 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8165 -8.6004 -1.7903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0473 -8.8554 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7236 -10.0156 0.5291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0171 -3.5472 4.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4881 -3.9927 4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8495 -5.1758 4.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7373 -2.5323 2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2862 -3.5137 2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3576 -4.5944 1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6467 -6.4839 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7293 -6.3323 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2513 -5.7110 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 -4.3242 0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2321 -2.5232 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0204 2.2312 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9730 -0.5302 4.7725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7080 -2.7343 10.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6599 -4.1968 8.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8572 -2.9169 8.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3889 -4.1151 11.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 -4.4022 10.0798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4223 -1.9740 10.2493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1288 -1.8016 11.4976 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6950 -3.2090 13.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1899 -3.8710 13.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2681 -1.0025 10.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4059 -2.3561 10.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9932 -0.9210 8.6751 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0421 0.3054 9.9277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7856 0.5018 8.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5282 -0.6292 9.8027 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0294 -0.5393 11.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.5843 -0.5139 5.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0010356 (Plantazolicin)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 0.639 -4.080 4.080 0.00 0.00 C+0 HETATM 2 C UNK 0 1.188 -3.513 2.768 0.00 0.00 C+0 HETATM 3 C UNK 0 0.731 -4.469 1.683 0.00 0.00 C+0 HETATM 4 C UNK 0 1.346 -5.822 2.012 0.00 0.00 C+0 HETATM 5 C UNK 0 1.191 -4.096 0.312 0.00 0.00 C+0 HETATM 6 N UNK 0 0.779 -2.757 -0.118 0.00 0.00 N+0 HETATM 7 C UNK 0 1.558 -1.776 -0.793 0.00 0.00 C+0 HETATM 8 O UNK 0 2.706 -1.890 -1.086 0.00 0.00 O+0 HETATM 9 C UNK 0 0.783 -0.539 -1.148 0.00 0.00 C+0 HETATM 10 N UNK 0 -0.373 -0.192 -0.577 0.00 0.00 N+0 HETATM 11 C UNK 0 -0.913 0.865 -1.256 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.199 1.427 -0.828 0.00 0.00 C+0 HETATM 13 N UNK 0 -2.927 1.027 0.231 0.00 0.00 N+0 HETATM 14 C UNK 0 -4.169 1.585 0.220 0.00 0.00 C+0 HETATM 15 C UNK 0 -5.139 1.287 1.334 0.00 0.00 C+0 HETATM 16 C UNK 0 -6.466 1.638 1.387 0.00 0.00 C+0 HETATM 17 S UNK 0 -6.969 0.873 2.874 0.00 0.00 S+0 HETATM 18 C UNK 0 -5.500 0.182 3.324 0.00 0.00 C+0 HETATM 19 C UNK 0 -4.974 -0.424 4.570 0.00 0.00 C+0 HETATM 20 N UNK 0 -3.653 -0.601 4.785 0.00 0.00 N+0 HETATM 21 C UNK 0 -3.447 -1.101 6.024 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.066 -1.377 6.543 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.970 -0.962 5.796 0.00 0.00 C+0 HETATM 24 S UNK 0 0.319 -1.276 6.837 0.00 0.00 S+0 HETATM 25 C UNK 0 -0.571 -1.909 8.151 0.00 0.00 C+0 HETATM 26 C UNK 0 0.082 -2.278 9.482 0.00 0.00 C+0 HETATM 27 C UNK 0 1.190 -3.234 9.210 0.00 0.00 C+0 HETATM 28 C UNK 0 2.022 -3.650 10.374 0.00 0.00 C+0 HETATM 29 C UNK 0 2.784 -2.519 10.990 0.00 0.00 C+0 HETATM 30 N UNK 0 3.619 -3.067 12.086 0.00 0.00 N+0 HETATM 31 C UNK 0 4.901 -2.776 12.084 0.00 0.00 C+0 HETATM 32 N UNK 0 5.646 -3.331 13.163 0.00 0.00 N+0 HETATM 33 N UNK 0 5.545 -1.978 11.139 0.00 0.00 N+0 HETATM 34 N UNK 0 0.482 -1.026 10.113 0.00 0.00 N+0 HETATM 35 C UNK 0 1.347 -0.232 9.258 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.711 -0.267 10.495 0.00 0.00 C+0 HETATM 37 N UNK 0 -1.813 -1.862 7.742 0.00 0.00 N+0 HETATM 38 O UNK 0 -4.624 -1.235 6.543 0.00 0.00 O+0 HETATM 39 C UNK 0 -5.592 -0.834 5.698 0.00 0.00 C+0 HETATM 40 C UNK 0 -7.049 -0.839 5.949 0.00 0.00 C+0 HETATM 41 N UNK 0 -4.743 0.560 2.335 0.00 0.00 N+0 HETATM 42 O UNK 0 -4.231 2.311 -0.809 0.00 0.00 O+0 HETATM 43 C UNK 0 -3.069 2.271 -1.493 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.805 3.017 -2.729 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.103 1.139 -2.184 0.00 0.00 O+0 HETATM 46 C UNK 0 0.964 0.330 -2.187 0.00 0.00 C+0 HETATM 47 C UNK 0 2.117 0.356 -3.112 0.00 0.00 C+0 HETATM 48 C UNK 0 0.396 -4.992 -0.671 0.00 0.00 C+0 HETATM 49 O UNK 0 0.598 -4.694 -1.869 0.00 0.00 O+0 HETATM 50 N UNK 0 -0.466 -5.986 -0.291 0.00 0.00 N+0 HETATM 51 C UNK 0 -1.250 -6.739 -1.306 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.189 -5.661 -1.859 0.00 0.00 C+0 HETATM 53 N UNK 0 -1.756 -4.641 -2.607 0.00 0.00 N+0 HETATM 54 C UNK 0 -2.805 -3.826 -2.938 0.00 0.00 C+0 HETATM 55 C UNK 0 -2.604 -2.619 -3.726 0.00 0.00 C+0 HETATM 56 N UNK 0 -3.405 -1.653 -4.166 0.00 0.00 N+0 HETATM 57 C UNK 0 -2.725 -0.736 -4.856 0.00 0.00 C+0 HETATM 58 C UNK 0 -3.026 0.567 -5.397 0.00 0.00 C+0 HETATM 59 N UNK 0 -2.133 1.347 -6.098 0.00 0.00 N+0 HETATM 60 C UNK 0 -2.681 2.510 -6.434 0.00 0.00 C+0 HETATM 61 C UNK 0 -1.967 3.592 -7.094 0.00 0.00 C+0 HETATM 62 N UNK 0 -2.336 4.817 -7.478 0.00 0.00 N+0 HETATM 63 C UNK 0 -1.294 5.479 -8.036 0.00 0.00 C+0 HETATM 64 C UNK 0 -1.171 6.886 -8.411 0.00 0.00 C+0 HETATM 65 N UNK 0 -0.117 7.391 -8.957 0.00 0.00 N+0 HETATM 66 C UNK 0 -0.340 8.834 -9.175 0.00 0.00 C+0 HETATM 67 C UNK 0 0.551 9.528 -8.154 0.00 0.00 C+0 HETATM 68 O UNK 0 0.285 10.678 -7.796 0.00 0.00 O+0 HETATM 69 N UNK 0 1.670 8.835 -7.633 0.00 0.00 N+0 HETATM 70 C UNK 0 2.576 9.354 -6.638 0.00 0.00 C+0 HETATM 71 C UNK 0 2.848 8.331 -5.560 0.00 0.00 C+0 HETATM 72 C UNK 0 3.496 7.104 -6.066 0.00 0.00 C+0 HETATM 73 C UNK 0 2.712 6.040 -6.515 0.00 0.00 C+0 HETATM 74 C UNK 0 3.381 4.919 -6.992 0.00 0.00 C+0 HETATM 75 C UNK 0 4.742 4.834 -7.029 0.00 0.00 C+0 HETATM 76 C UNK 0 5.540 5.867 -6.586 0.00 0.00 C+0 HETATM 77 C UNK 0 4.845 6.980 -6.115 0.00 0.00 C+0 HETATM 78 C UNK 0 3.900 9.701 -7.235 0.00 0.00 C+0 HETATM 79 O UNK 0 4.123 9.485 -8.432 0.00 0.00 O+0 HETATM 80 O UNK 0 4.859 10.278 -6.381 0.00 0.00 O+0 HETATM 81 C UNK 0 -1.774 9.050 -8.875 0.00 0.00 C+0 HETATM 82 C UNK 0 -2.576 9.271 -10.159 0.00 0.00 C+0 HETATM 83 O UNK 0 -2.145 7.846 -8.235 0.00 0.00 O+0 HETATM 84 C UNK 0 -0.239 4.564 -7.990 0.00 0.00 C+0 HETATM 85 O UNK 0 -0.668 3.490 -7.439 0.00 0.00 O+0 HETATM 86 C UNK 0 -3.954 2.442 -5.937 0.00 0.00 C+0 HETATM 87 O UNK 0 -4.106 1.260 -5.328 0.00 0.00 O+0 HETATM 88 C UNK 0 -1.389 -1.202 -4.840 0.00 0.00 C+0 HETATM 89 O UNK 0 -1.381 -2.291 -4.173 0.00 0.00 O+0 HETATM 90 C UNK 0 -3.868 -4.415 -2.357 0.00 0.00 C+0 HETATM 91 O UNK 0 -3.440 -5.511 -1.726 0.00 0.00 O+0 HETATM 92 C UNK 0 -2.028 -7.846 -0.713 0.00 0.00 C+0 HETATM 93 C UNK 0 -2.817 -8.600 -1.790 0.00 0.00 C+0 HETATM 94 C UNK 0 -1.047 -8.855 -0.115 0.00 0.00 C+0 HETATM 95 C UNK 0 -1.724 -10.016 0.529 0.00 0.00 C+0 HETATM 96 H UNK 0 1.017 -3.547 4.954 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.488 -3.993 4.092 0.00 0.00 H+0 HETATM 98 H UNK 0 0.850 -5.176 4.128 0.00 0.00 H+0 HETATM 99 H UNK 0 0.737 -2.532 2.620 0.00 0.00 H+0 HETATM 100 H UNK 0 2.286 -3.514 2.814 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.358 -4.594 1.780 0.00 0.00 H+0 HETATM 102 H UNK 0 0.647 -6.484 2.543 0.00 0.00 H+0 HETATM 103 H UNK 0 1.729 -6.332 1.120 0.00 0.00 H+0 HETATM 104 H UNK 0 2.251 -5.711 2.690 0.00 0.00 H+0 HETATM 105 H UNK 0 2.219 -4.324 0.143 0.00 0.00 H+0 HETATM 106 H UNK 0 -0.232 -2.523 0.101 0.00 0.00 H+0 HETATM 107 H UNK 0 -7.020 2.231 0.674 0.00 0.00 H+0 HETATM 108 H UNK 0 -0.973 -0.530 4.773 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.708 -2.734 10.083 0.00 0.00 H+0 HETATM 110 H UNK 0 0.660 -4.197 8.875 0.00 0.00 H+0 HETATM 111 H UNK 0 1.857 -2.917 8.368 0.00 0.00 H+0 HETATM 112 H UNK 0 1.389 -4.115 11.190 0.00 0.00 H+0 HETATM 113 H UNK 0 2.777 -4.402 10.080 0.00 0.00 H+0 HETATM 114 H UNK 0 3.422 -1.974 10.249 0.00 0.00 H+0 HETATM 115 H UNK 0 2.129 -1.802 11.498 0.00 0.00 H+0 HETATM 116 H UNK 0 6.695 -3.209 13.216 0.00 0.00 H+0 HETATM 117 H UNK 0 5.190 -3.871 13.937 0.00 0.00 H+0 HETATM 118 H UNK 0 5.268 -1.002 10.845 0.00 0.00 H+0 HETATM 119 H UNK 0 6.406 -2.356 10.649 0.00 0.00 H+0 HETATM 120 H UNK 0 1.993 -0.921 8.675 0.00 0.00 H+0 HETATM 121 H UNK 0 2.042 0.305 9.928 0.00 0.00 H+0 HETATM 122 H UNK 0 0.786 0.502 8.653 0.00 0.00 H+0 HETATM 123 H UNK 0 -1.528 -0.629 9.803 0.00 0.00 H+0 HETATM 124 H UNK 0 -1.029 -0.539 11.516 0.00 0.00 H+0 HETATM 125 H UNK 0 -0.567 0.810 10.320 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.584 -0.514 5.009 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.422 -1.901 6.098 0.00 0.00 H+0 HETATM 128 H UNK 0 -7.393 -0.187 6.758 0.00 0.00 H+0 HETATM 129 H UNK 0 -2.262 2.437 -3.483 0.00 0.00 H+0 HETATM 130 H UNK 0 -3.716 3.430 -3.182 0.00 0.00 H+0 HETATM 131 H UNK 0 -2.086 3.886 -2.517 0.00 0.00 H+0 HETATM 132 H UNK 0 2.117 -0.539 -3.740 0.00 0.00 H+0 HETATM 133 H UNK 0 2.193 1.296 -3.683 0.00 0.00 H+0 HETATM 134 H UNK 0 3.043 0.292 -2.470 0.00 0.00 H+0 HETATM 135 H UNK 0 -0.633 -6.267 0.689 0.00 0.00 H+0 HETATM 136 H UNK 0 -0.648 -6.984 -2.168 0.00 0.00 H+0 HETATM 137 H UNK 0 -0.051 9.198 -10.144 0.00 0.00 H+0 HETATM 138 H UNK 0 1.863 7.863 -8.011 0.00 0.00 H+0 HETATM 139 H UNK 0 2.181 10.289 -6.239 0.00 0.00 H+0 HETATM 140 H UNK 0 1.810 8.059 -5.128 0.00 0.00 H+0 HETATM 141 H UNK 0 3.391 8.736 -4.688 0.00 0.00 H+0 HETATM 142 H UNK 0 1.631 6.098 -6.480 0.00 0.00 H+0 HETATM 143 H UNK 0 2.788 4.075 -7.354 0.00 0.00 H+0 HETATM 144 H UNK 0 5.285 3.968 -7.413 0.00 0.00 H+0 HETATM 145 H UNK 0 6.606 5.858 -6.581 0.00 0.00 H+0 HETATM 146 H UNK 0 5.470 7.791 -5.740 0.00 0.00 H+0 HETATM 147 H UNK 0 4.724 10.167 -5.377 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.980 9.924 -8.203 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.955 8.326 -10.583 0.00 0.00 H+0 HETATM 150 H UNK 0 -1.901 9.702 -10.940 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.418 9.958 -10.018 0.00 0.00 H+0 HETATM 152 H UNK 0 0.767 4.778 -8.374 0.00 0.00 H+0 HETATM 153 H UNK 0 -4.728 3.167 -5.989 0.00 0.00 H+0 HETATM 154 H UNK 0 -0.541 -0.740 -5.299 0.00 0.00 H+0 HETATM 155 H UNK 0 -4.876 -4.067 -2.393 0.00 0.00 H+0 HETATM 156 H UNK 0 -2.759 -7.543 0.051 0.00 0.00 H+0 HETATM 157 H UNK 0 -3.926 -8.559 -1.558 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.670 -8.144 -2.781 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.571 -9.671 -1.817 0.00 0.00 H+0 HETATM 160 H UNK 0 -0.341 -8.336 0.578 0.00 0.00 H+0 HETATM 161 H UNK 0 -0.397 -9.243 -0.953 0.00 0.00 H+0 HETATM 162 H UNK 0 -2.825 -9.928 0.618 0.00 0.00 H+0 HETATM 163 H UNK 0 -1.500 -10.969 0.002 0.00 0.00 H+0 HETATM 164 H UNK 0 -1.282 -10.138 1.560 0.00 0.00 H+0 CONECT 1 2 96 97 98 CONECT 2 1 3 99 100 CONECT 3 2 4 5 101 CONECT 4 3 102 103 104 CONECT 5 3 6 48 105 CONECT 6 5 7 106 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 46 CONECT 10 9 11 CONECT 11 10 12 45 CONECT 12 11 13 43 CONECT 13 12 14 CONECT 14 13 15 42 CONECT 15 14 16 41 CONECT 16 15 17 107 CONECT 17 16 18 CONECT 18 17 19 41 CONECT 19 18 20 39 CONECT 20 19 21 CONECT 21 20 22 38 CONECT 22 21 23 37 CONECT 23 22 24 108 CONECT 24 23 25 CONECT 25 24 26 37 CONECT 26 25 27 34 109 CONECT 27 26 28 110 111 CONECT 28 27 29 112 113 CONECT 29 28 30 114 115 CONECT 30 29 31 CONECT 31 30 32 33 CONECT 32 31 116 117 CONECT 33 31 118 119 CONECT 34 26 35 36 CONECT 35 34 120 121 122 CONECT 36 34 123 124 125 CONECT 37 25 22 CONECT 38 21 39 CONECT 39 38 40 19 CONECT 40 39 126 127 128 CONECT 41 18 15 CONECT 42 14 43 CONECT 43 42 44 12 CONECT 44 43 129 130 131 CONECT 45 11 46 CONECT 46 45 47 9 CONECT 47 46 132 133 134 CONECT 48 5 49 50 CONECT 49 48 CONECT 50 48 51 135 CONECT 51 50 52 92 136 CONECT 52 51 53 91 CONECT 53 52 54 CONECT 54 53 55 90 CONECT 55 54 56 89 CONECT 56 55 57 CONECT 57 56 58 88 CONECT 58 57 59 87 CONECT 59 58 60 CONECT 60 59 61 86 CONECT 61 60 62 85 CONECT 62 61 63 CONECT 63 62 64 84 CONECT 64 63 65 83 CONECT 65 64 66 CONECT 66 65 67 81 137 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 138 CONECT 70 69 71 78 139 CONECT 71 70 72 140 141 CONECT 72 71 73 77 CONECT 73 72 74 142 CONECT 74 73 75 143 CONECT 75 74 76 144 CONECT 76 75 77 145 CONECT 77 76 72 146 CONECT 78 70 79 80 CONECT 79 78 CONECT 80 78 147 CONECT 81 66 82 83 148 CONECT 82 81 149 150 151 CONECT 83 81 64 CONECT 84 63 85 152 CONECT 85 84 61 CONECT 86 60 87 153 CONECT 87 86 58 CONECT 88 57 89 154 CONECT 89 88 55 CONECT 90 54 91 155 CONECT 91 90 52 CONECT 92 51 93 94 156 CONECT 93 92 157 158 159 CONECT 94 92 95 160 161 CONECT 95 94 162 163 164 CONECT 96 1 CONECT 97 1 CONECT 98 1 CONECT 99 2 CONECT 100 2 CONECT 101 3 CONECT 102 4 CONECT 103 4 CONECT 104 4 CONECT 105 5 CONECT 106 6 CONECT 107 16 CONECT 108 23 CONECT 109 26 CONECT 110 27 CONECT 111 27 CONECT 112 28 CONECT 113 28 CONECT 114 29 CONECT 115 29 CONECT 116 32 CONECT 117 32 CONECT 118 33 CONECT 119 33 CONECT 120 35 CONECT 121 35 CONECT 122 35 CONECT 123 36 CONECT 124 36 CONECT 125 36 CONECT 126 40 CONECT 127 40 CONECT 128 40 CONECT 129 44 CONECT 130 44 CONECT 131 44 CONECT 132 47 CONECT 133 47 CONECT 134 47 CONECT 135 50 CONECT 136 51 CONECT 137 66 CONECT 138 69 CONECT 139 70 CONECT 140 71 CONECT 141 71 CONECT 142 73 CONECT 143 74 CONECT 144 75 CONECT 145 76 CONECT 146 77 CONECT 147 80 CONECT 148 81 CONECT 149 82 CONECT 150 82 CONECT 151 82 CONECT 152 84 CONECT 153 86 CONECT 154 88 CONECT 155 90 CONECT 156 92 CONECT 157 93 CONECT 158 93 CONECT 159 93 CONECT 160 94 CONECT 161 94 CONECT 162 95 CONECT 163 95 CONECT 164 95 MASTER 0 0 0 0 0 0 0 0 164 0 348 0 END SMILES for NP0010356 (Plantazolicin)[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N=C(O[C@]1([H])C([H])([H])[H])C1=C([H])OC(=N1)C1=C([H])OC(=N1)C1=C([H])OC(=N1)C1=C([H])OC(=N1)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C1=C(OC(=N1)C1=C(OC(=N1)C1=C([H])SC(=N1)C1=C(OC(=N1)C1=C([H])SC(=N1)[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])N=C(N([H])[H])N([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] INCHI for NP0010356 (Plantazolicin)InChI=1S/C63H69N17O13S2/c1-11-28(3)43(74-51(83)46-31(6)93-59(77-46)47-32(7)91-56(78-47)41-27-95-61(73-41)48-33(8)92-57(79-48)40-26-94-60(72-40)42(80(9)10)19-16-20-66-63(64)65)49(81)75-44(29(4)12-2)58-71-38(24-89-58)54-69-36(22-87-54)52-68-37(23-86-52)53-70-39(25-88-53)55-76-45(30(5)90-55)50(82)67-35(62(84)85)21-34-17-14-13-15-18-34/h13-15,17-18,22-30,35,42-45H,11-12,16,19-21H2,1-10H3,(H,67,82)(H,74,83)(H,75,81)(H,84,85)(H4,64,65,66)/t28-,29-,30+,35-,42+,43-,44-,45-/m0/s1 3D Structure for NP0010356 (Plantazolicin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C63H69N17O13S2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1336.4700 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1335.47022 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-{[(4S,5R)-2-{2-[2-(2-{2-[(1S,2S)-1-[(2S,3S)-2-[(2-{2-[2-(2-{2-[(1R)-4-[(diaminomethylidene)amino]-1-(dimethylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl}-5-methyl-1,3-oxazol-4-yl)formamido]-3-methylpentanamido]-2-methylbutyl]-1,3-oxazol-4-yl}-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl}-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}-3-phenylpropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-{[(4S,5R)-2-{2-[2-(2-{2-[(1S,2S)-1-[(2S,3S)-2-[(2-{2-[2-(2-{2-[(1R)-4-[(diaminomethylidene)amino]-1-(dimethylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl}-5-methyl-1,3-oxazol-4-yl)formamido]-3-methylpentanamido]-2-methylbutyl]-1,3-oxazol-4-yl}-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-1,3-oxazol-4-yl}-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}-3-phenylpropanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H](C)[C@H](NC(=O)C1=C(C)OC(=N1)C1=C(C)OC(=N1)C1=CSC(=N1)C1=C(C)OC(=N1)C1=CSC(=N1)C(CCCN=C(N)N)N(C)C)C(=O)N[C@@H]([C@@H](C)CC)C1=NC(=CO1)C1=NC(=CO1)C1=NC(=CO1)C1=NC(=CO1)C1=NC(C(C)O1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C63H69N17O13S2/c1-11-28(3)43(74-51(83)46-31(6)93-59(77-46)47-32(7)91-56(78-47)41-27-95-61(73-41)48-33(8)92-57(79-48)40-26-94-60(72-40)42(80(9)10)19-16-20-66-63(64)65)49(81)75-44(29(4)12-2)58-71-38(24-89-58)54-69-36(22-87-54)52-68-37(23-86-52)53-70-39(25-88-53)55-76-45(30(5)90-55)50(82)67-35(62(84)85)21-34-17-14-13-15-18-34/h13-15,17-18,22-30,35,42-45H,11-12,16,19-21H2,1-10H3,(H,67,82)(H,74,83)(H,75,81)(H,84,85)(H4,64,65,66)/t28-,29-,30?,35-,42?,43-,44-,45?/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | SKALCVOFYPVXLA-DUJKJIRYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA008961 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78445675 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 101802948 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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