Showing NP-Card for Trichorzin PA VI (NP0023667)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 08:43:45 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:42:22 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0023667 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Trichorzin PA VI | ||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Trichorzin PA VI, also known as pa vi-trichorzin, belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Trichorzin PA VI is found in Trichoderma harzianum. Based on a literature review very few articles have been published on Trichorzin PA VI. | ||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0023667 (Trichorzin PA VI)
Mrv1652307042108203D
266267 0 0 0 0 999 V2000
5.8966 0.0255 3.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5660 -0.2262 4.0163 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4808 0.8816 3.5711 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1159 2.1556 4.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5325 1.0639 2.1685 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5523 0.1377 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4762 -1.0892 1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7224 0.6627 -0.3104 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4567 2.2281 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3098 0.7163 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2355 0.2038 -1.4647 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4281 -1.1339 -2.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0562 -1.9002 -1.5772 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8714 -1.1363 -3.5406 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9796 -0.2886 -4.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6524 -1.8934 -5.5169 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0023667 (Trichorzin PA VI)
RDKit 3D
266267 0 0 0 0 0 0 0 0999 V2000
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M END
3D SDF for NP0023667 (Trichorzin PA VI)
Mrv1652307042108203D
266267 0 0 0 0 999 V2000
5.8966 0.0255 3.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5660 -0.2262 4.0163 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4808 0.8816 3.5711 C 0 0 1 0 0 0 0 0 0 0 0 0
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3.5325 1.0639 2.1685 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5523 0.1377 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3098 0.7163 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1387 0.7072 6.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1687 -1.3580 5.8472 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4634 -0.0151 8.2654 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0701 -1.3777 7.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5088 -1.7675 8.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5205 -2.9269 7.8506 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6692 -4.2109 10.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0810 -2.6413 11.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.2449 -3.6145 5.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4464 -4.1056 3.8493 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4567 -5.3389 4.6877 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1242 -4.2900 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 -5.0613 2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7158 -5.9528 1.8819 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1142 2.0474 0.9568 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9319 2.3889 3.3512 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6649 4.6104 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 4.2709 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2382 3.7786 3.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4200 6.1758 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6733 6.0447 2.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 6.0267 4.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8681 4.5773 5.4124 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6600 2.7716 5.0029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2268 3.7229 5.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7381 4.5650 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5962 5.4281 1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4716 4.3149 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1478 6.0190 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7236 2.6719 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0663 3.7425 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5785 3.9959 -2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7285 7.5654 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5025 6.5154 1.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4546 9.4901 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5923 8.5363 2.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 7.8892 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3043 9.5080 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9458 8.8774 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1877 7.0107 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9675 8.1464 -2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8175 8.5160 -1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1875 7.2151 -2.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9146 5.5040 -0.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9929 6.1847 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0833 7.9443 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4915 7.1925 1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1216 5.7651 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0947 7.5706 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1084 6.6848 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8397 5.2636 -3.0756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 3.7270 -6.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6458 5.3858 -5.8677 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 4.9150 -6.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8274 3.6138 -3.9252 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0617 2.3826 -4.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6247 2.5194 -3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9713 1.4813 -3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0239 2.6309 -3.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 1.9659 -2.0392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5966 3.4322 -2.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.8013 2.2446 -6.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0948 -0.5839 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.0446 -0.3996 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5452 -4.5093 -3.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9112 -4.1155 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2146 -4.9016 -3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 -6.1518 -3.7905 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4216 -7.4752 -3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0803 -5.7528 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4283 -6.7976 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4019 -4.9320 -0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3284 -5.8664 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1931 -8.1296 1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0799 -9.3969 1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1539 -8.4657 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3667 -6.1527 3.7002 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5673 -5.7180 3.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2358 -4.1264 4.0579 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8373 -5.4849 5.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2569 -7.6418 5.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6973 -6.5535 6.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9478 -7.0669 6.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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50 51 1 0 0 0 0
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51 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
54 56 1 0 0 0 0
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64 65 1 0 0 0 0
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66 67 1 0 0 0 0
66 68 1 0 0 0 0
64 69 1 0 0 0 0
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80 81 1 0 0 0 0
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102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
106107 1 0 0 0 0
107108 1 0 0 0 0
108109 1 0 0 0 0
108110 2 0 0 0 0
105111 1 0 0 0 0
111112 2 0 0 0 0
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113114 1 0 0 0 0
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120121 2 0 0 0 0
121122 1 0 0 0 0
122123 2 0 0 0 0
50124 1 0 0 0 0
124125 1 0 0 0 0
124126 1 0 0 0 0
81 77 1 0 0 0 0
123118 1 0 0 0 0
1127 1 0 0 0 0
1128 1 0 0 0 0
1129 1 0 0 0 0
2130 1 0 0 0 0
2131 1 0 0 0 0
4132 1 0 0 0 0
4133 1 0 0 0 0
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16147 1 0 0 0 0
19148 1 6 0 0 0
20149 1 0 0 0 0
20150 1 0 0 0 0
21151 1 0 0 0 0
22152 1 0 0 0 0
26153 1 0 0 0 0
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27156 1 0 0 0 0
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27158 1 0 0 0 0
28159 1 0 0 0 0
30160 1 0 0 0 0
30161 1 0 0 0 0
30162 1 0 0 0 0
34163 1 0 0 0 0
35164 1 6 0 0 0
36165 1 0 0 0 0
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39170 1 0 0 0 0
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45172 1 0 0 0 0
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46175 1 0 0 0 0
46176 1 0 0 0 0
46177 1 0 0 0 0
49178 1 0 0 0 0
50179 1 6 0 0 0
53180 1 0 0 0 0
55181 1 0 0 0 0
55182 1 0 0 0 0
55183 1 0 0 0 0
56184 1 0 0 0 0
56185 1 0 0 0 0
56186 1 0 0 0 0
59187 1 0 0 0 0
60188 1 0 0 0 0
60189 1 0 0 0 0
63190 1 0 0 0 0
64191 1 1 0 0 0
65192 1 0 0 0 0
65193 1 0 0 0 0
66194 1 6 0 0 0
67195 1 0 0 0 0
67196 1 0 0 0 0
67197 1 0 0 0 0
68198 1 0 0 0 0
68199 1 0 0 0 0
68200 1 0 0 0 0
71201 1 0 0 0 0
73202 1 0 0 0 0
73203 1 0 0 0 0
73204 1 0 0 0 0
74205 1 0 0 0 0
74206 1 0 0 0 0
74207 1 0 0 0 0
78208 1 0 0 0 0
78209 1 0 0 0 0
79210 1 0 0 0 0
79211 1 0 0 0 0
80212 1 0 0 0 0
80213 1 0 0 0 0
81214 1 6 0 0 0
84215 1 0 0 0 0
85216 1 6 0 0 0
86217 1 0 0 0 0
86218 1 0 0 0 0
87219 1 6 0 0 0
88220 1 0 0 0 0
88221 1 0 0 0 0
88222 1 0 0 0 0
89223 1 0 0 0 0
89224 1 0 0 0 0
89225 1 0 0 0 0
92226 1 0 0 0 0
94227 1 0 0 0 0
94228 1 0 0 0 0
94229 1 0 0 0 0
95230 1 0 0 0 0
95231 1 0 0 0 0
95232 1 0 0 0 0
98233 1 0 0 0 0
100234 1 0 0 0 0
100235 1 0 0 0 0
100236 1 0 0 0 0
101237 1 0 0 0 0
101238 1 0 0 0 0
101239 1 0 0 0 0
104240 1 0 0 0 0
105241 1 6 0 0 0
106242 1 0 0 0 0
106243 1 0 0 0 0
107244 1 0 0 0 0
107245 1 0 0 0 0
109246 1 0 0 0 0
109247 1 0 0 0 0
113248 1 0 0 0 0
114249 1 1 0 0 0
115250 1 0 0 0 0
115251 1 0 0 0 0
116252 1 0 0 0 0
117253 1 0 0 0 0
117254 1 0 0 0 0
119255 1 0 0 0 0
120256 1 0 0 0 0
121257 1 0 0 0 0
122258 1 0 0 0 0
123259 1 0 0 0 0
124260 1 6 0 0 0
125261 1 0 0 0 0
125262 1 0 0 0 0
125263 1 0 0 0 0
126264 1 0 0 0 0
126265 1 0 0 0 0
126266 1 0 0 0 0
M END
> <DATABASE_ID>
NP0023667
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])[C@](C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])C(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C84H140N20O22/c1-25-84(24,103-74(124)82(20,21)97-61(111)47(8)88-63(113)55(43-106)94-70(120)78(12,13)96-48(9)107)75(125)93-52(34-36-58(86)109)64(114)98-79(14,15)72(122)95-60(46(6)7)68(118)101-77(10,11)69(119)87-41-59(110)90-53(38-44(2)3)65(115)100-83(22,23)76(126)104-37-29-32-56(104)67(117)91-54(39-45(4)5)66(116)99-81(18,19)73(123)102-80(16,17)71(121)92-51(33-35-57(85)108)62(112)89-50(42-105)40-49-30-27-26-28-31-49/h26-28,30-31,44-47,50-56,60,105-106H,25,29,32-43H2,1-24H3,(H2,85,108)(H2,86,109)(H,87,119)(H,88,113)(H,89,112)(H,90,110)(H,91,117)(H,92,121)(H,93,125)(H,94,120)(H,95,122)(H,96,107)(H,97,111)(H,98,114)(H,99,116)(H,100,115)(H,101,118)(H,102,123)(H,103,124)/t47-,50+,51-,52+,53+,54+,55+,56+,60-,84-/m1/s1
> <INCHI_KEY>
DQTKEFFEXANHRF-UHFFFAOYSA-N
> <FORMULA>
C84H140N20O22
> <MOLECULAR_WEIGHT>
1782.162
> <EXACT_MASS>
1781.045106228
> <JCHEM_ACCEPTOR_COUNT>
22
> <JCHEM_ATOM_COUNT>
266
> <JCHEM_AVERAGE_POLARIZABILITY>
186.75055281543501
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
21
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-N-(1-{[(1R)-1-({1-[({[(1S)-1-({1-[(2S)-2-{[(1S)-1-({1-[(1-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylpropanamido}-2-methylbutanamido]pentanediamide
> <JCHEM_LOGP>
-4.827466088333326
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.6972933596367
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.321417755344791
> <JCHEM_POLAR_SURFACE_AREA>
641.6499999999999
> <JCHEM_REFRACTIVITY>
457.28580000000017
> <JCHEM_ROTATABLE_BOND_COUNT>
50
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-N-(1-{[(1R)-1-({1-[({[(1S)-1-({1-[(2S)-2-{[(1S)-1-({1-[(1-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylpropanamido}-2-methylbutanamido]pentanediamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0023667 (Trichorzin PA VI)
RDKit 3D
266267 0 0 0 0 0 0 0 0999 V2000
5.8966 0.0255 3.4855 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5660 -0.2262 4.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4808 0.8816 3.5711 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1159 2.1556 4.1855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5325 1.0639 2.1685 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5523 0.1377 1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4762 -1.0892 1.1735 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7224 0.6627 -0.3104 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4567 2.2281 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3098 0.7163 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2355 0.2038 -1.4647 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4281 -1.1339 -2.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0562 -1.9002 -1.5772 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8714 -1.1363 -3.5406 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9796 -0.2886 -4.4186 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6568 -2.1643 -4.4541 N 0 0 0 0 0 0 0 0 0 0 0 0
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126265 1 0
126266 1 0
M END
PDB for NP0023667 (Trichorzin PA VI)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 5.897 0.026 3.486 0.00 0.00 C+0 HETATM 2 C UNK 0 4.566 -0.226 4.016 0.00 0.00 C+0 HETATM 3 C UNK 0 3.481 0.882 3.571 0.00 0.00 C+0 HETATM 4 C UNK 0 4.116 2.156 4.186 0.00 0.00 C+0 HETATM 5 N UNK 0 3.533 1.064 2.168 0.00 0.00 N+0 HETATM 6 C UNK 0 3.552 0.138 1.075 0.00 0.00 C+0 HETATM 7 O UNK 0 3.476 -1.089 1.174 0.00 0.00 O+0 HETATM 8 C UNK 0 3.722 0.663 -0.310 0.00 0.00 C+0 HETATM 9 C UNK 0 3.457 2.228 -0.184 0.00 0.00 C+0 HETATM 10 C UNK 0 5.310 0.716 -0.405 0.00 0.00 C+0 HETATM 11 N UNK 0 3.236 0.204 -1.465 0.00 0.00 N+0 HETATM 12 C UNK 0 3.428 -1.134 -2.230 0.00 0.00 C+0 HETATM 13 O UNK 0 4.056 -1.900 -1.577 0.00 0.00 O+0 HETATM 14 C UNK 0 2.871 -1.136 -3.541 0.00 0.00 C+0 HETATM 15 C UNK 0 3.980 -0.289 -4.419 0.00 0.00 C+0 HETATM 16 N UNK 0 2.657 -2.164 -4.454 0.00 0.00 N+0 HETATM 17 C UNK 0 1.652 -1.893 -5.517 0.00 0.00 C+0 HETATM 18 O UNK 0 1.144 -0.754 -5.472 0.00 0.00 O+0 HETATM 19 C UNK 0 1.212 -2.775 -6.575 0.00 0.00 C+0 HETATM 20 C UNK 0 1.372 -1.861 -7.914 0.00 0.00 C+0 HETATM 21 O UNK 0 1.075 -2.685 -8.959 0.00 0.00 O+0 HETATM 22 N UNK 0 -0.188 -3.044 -6.634 0.00 0.00 N+0 HETATM 23 C UNK 0 -1.335 -2.684 -7.297 0.00 0.00 C+0 HETATM 24 O UNK 0 -1.387 -1.807 -8.218 0.00 0.00 O+0 HETATM 25 C UNK 0 -2.658 -3.280 -6.948 0.00 0.00 C+0 HETATM 26 C UNK 0 -3.303 -3.959 -8.182 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.567 -4.356 -5.929 0.00 0.00 C+0 HETATM 28 N UNK 0 -3.581 -2.227 -6.618 0.00 0.00 N+0 HETATM 29 C UNK 0 -4.849 -2.420 -6.065 0.00 0.00 C+0 HETATM 30 C UNK 0 -5.731 -1.267 -5.661 0.00 0.00 C+0 HETATM 31 O UNK 0 -5.313 -3.574 -5.866 0.00 0.00 O+0 HETATM 32 C UNK 0 2.292 0.509 4.302 0.00 0.00 C+0 HETATM 33 O UNK 0 1.262 0.323 3.767 0.00 0.00 O+0 HETATM 34 N UNK 0 2.308 0.307 5.774 0.00 0.00 N+0 HETATM 35 C UNK 0 1.339 -0.348 6.515 0.00 0.00 C+0 HETATM 36 C UNK 0 2.209 -0.973 7.682 0.00 0.00 C+0 HETATM 37 C UNK 0 1.456 -1.916 8.501 0.00 0.00 C+0 HETATM 38 C UNK 0 2.434 -2.484 9.611 0.00 0.00 C+0 HETATM 39 N UNK 0 1.650 -3.195 10.597 0.00 0.00 N+0 HETATM 40 O UNK 0 3.571 -2.291 9.566 0.00 0.00 O+0 HETATM 41 C UNK 0 0.047 -0.088 7.068 0.00 0.00 C+0 HETATM 42 O UNK 0 -0.246 1.189 7.390 0.00 0.00 O+0 HETATM 43 N UNK 0 -0.955 -0.945 7.319 0.00 0.00 N+0 HETATM 44 C UNK 0 -2.049 -1.838 7.603 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.188 -2.268 9.062 0.00 0.00 C+0 HETATM 46 C UNK 0 -3.380 -0.946 7.470 0.00 0.00 C+0 HETATM 47 C UNK 0 -2.202 -2.835 6.609 0.00 0.00 C+0 HETATM 48 O UNK 0 -1.146 -2.939 5.780 0.00 0.00 O+0 HETATM 49 N UNK 0 -3.201 -3.795 6.234 0.00 0.00 N+0 HETATM 50 C UNK 0 -2.898 -4.612 5.019 0.00 0.00 C+0 HETATM 51 C UNK 0 -1.397 -4.833 4.920 0.00 0.00 C+0 HETATM 52 O UNK 0 -0.723 -5.289 5.859 0.00 0.00 O+0 HETATM 53 N UNK 0 -0.839 -4.439 3.697 0.00 0.00 N+0 HETATM 54 C UNK 0 0.407 -4.260 3.162 0.00 0.00 C+0 HETATM 55 C UNK 0 1.449 -4.334 4.370 0.00 0.00 C+0 HETATM 56 C UNK 0 1.032 -4.888 2.089 0.00 0.00 C+0 HETATM 57 C UNK 0 0.418 -2.635 2.994 0.00 0.00 C+0 HETATM 58 O UNK 0 1.523 -2.247 3.087 0.00 0.00 O+0 HETATM 59 N UNK 0 -0.832 -2.048 2.837 0.00 0.00 N+0 HETATM 60 C UNK 0 -1.393 -0.787 2.812 0.00 0.00 C+0 HETATM 61 C UNK 0 -1.070 0.297 1.798 0.00 0.00 C+0 HETATM 62 O UNK 0 -0.312 -0.018 0.873 0.00 0.00 O+0 HETATM 63 N UNK 0 -1.698 1.440 2.073 0.00 0.00 N+0 HETATM 64 C UNK 0 -2.327 2.602 2.341 0.00 0.00 C+0 HETATM 65 C UNK 0 -1.803 3.932 2.505 0.00 0.00 C+0 HETATM 66 C UNK 0 -0.774 4.200 3.626 0.00 0.00 C+0 HETATM 67 C UNK 0 -0.550 5.698 3.634 0.00 0.00 C+0 HETATM 68 C UNK 0 -1.197 3.799 4.997 0.00 0.00 C+0 HETATM 69 C UNK 0 -3.542 2.745 1.395 0.00 0.00 C+0 HETATM 70 O UNK 0 -4.318 1.757 1.342 0.00 0.00 O+0 HETATM 71 N UNK 0 -3.662 3.917 0.751 0.00 0.00 N+0 HETATM 72 C UNK 0 -4.433 4.738 -0.099 0.00 0.00 C+0 HETATM 73 C UNK 0 -5.705 5.175 0.518 0.00 0.00 C+0 HETATM 74 C UNK 0 -4.946 3.699 -1.203 0.00 0.00 C+0 HETATM 75 C UNK 0 -3.588 5.678 -0.801 0.00 0.00 C+0 HETATM 76 O UNK 0 -3.093 5.356 -1.930 0.00 0.00 O+0 HETATM 77 N UNK 0 -3.183 6.946 -0.300 0.00 0.00 N+0 HETATM 78 C UNK 0 -3.672 7.309 1.081 0.00 0.00 C+0 HETATM 79 C UNK 0 -2.916 8.550 1.432 0.00 0.00 C+0 HETATM 80 C UNK 0 -1.678 8.505 0.571 0.00 0.00 C+0 HETATM 81 C UNK 0 -2.326 7.933 -0.713 0.00 0.00 C+0 HETATM 82 C UNK 0 -1.223 7.818 -1.714 0.00 0.00 C+0 HETATM 83 O UNK 0 -1.446 8.133 -2.856 0.00 0.00 O+0 HETATM 84 N UNK 0 0.085 7.310 -1.318 0.00 0.00 N+0 HETATM 85 C UNK 0 1.167 7.223 -2.191 0.00 0.00 C+0 HETATM 86 C UNK 0 2.553 7.418 -1.813 0.00 0.00 C+0 HETATM 87 C UNK 0 3.172 6.628 -0.729 0.00 0.00 C+0 HETATM 88 C UNK 0 2.622 6.972 0.626 0.00 0.00 C+0 HETATM 89 C UNK 0 4.674 6.699 -0.717 0.00 0.00 C+0 HETATM 90 C UNK 0 0.937 6.101 -3.160 0.00 0.00 C+0 HETATM 91 O UNK 0 -0.255 6.059 -3.647 0.00 0.00 O+0 HETATM 92 N UNK 0 1.858 5.159 -3.517 0.00 0.00 N+0 HETATM 93 C UNK 0 1.790 4.027 -4.383 0.00 0.00 C+0 HETATM 94 C UNK 0 1.909 4.554 -5.833 0.00 0.00 C+0 HETATM 95 C UNK 0 2.859 3.054 -4.142 0.00 0.00 C+0 HETATM 96 C UNK 0 0.408 3.441 -4.374 0.00 0.00 C+0 HETATM 97 O UNK 0 -0.545 4.209 -4.634 0.00 0.00 O+0 HETATM 98 N UNK 0 0.184 2.088 -4.059 0.00 0.00 N+0 HETATM 99 C UNK 0 -1.204 1.627 -3.956 0.00 0.00 C+0 HETATM 100 C UNK 0 -1.999 2.438 -3.017 0.00 0.00 C+0 HETATM 101 C UNK 0 -1.706 2.024 -5.406 0.00 0.00 C+0 HETATM 102 C UNK 0 -1.281 0.189 -3.849 0.00 0.00 C+0 HETATM 103 O UNK 0 -1.398 -0.446 -4.965 0.00 0.00 O+0 HETATM 104 N UNK 0 -1.186 -0.535 -2.668 0.00 0.00 N+0 HETATM 105 C UNK 0 -1.258 -2.032 -2.607 0.00 0.00 C+0 HETATM 106 C UNK 0 -2.660 -2.346 -2.273 0.00 0.00 C+0 HETATM 107 C UNK 0 -3.185 -1.644 -1.015 0.00 0.00 C+0 HETATM 108 C UNK 0 -4.687 -1.997 -1.141 0.00 0.00 C+0 HETATM 109 N UNK 0 -5.472 -1.108 -0.220 0.00 0.00 N+0 HETATM 110 O UNK 0 -5.209 -2.813 -1.747 0.00 0.00 O+0 HETATM 111 C UNK 0 -0.194 -2.742 -2.042 0.00 0.00 C+0 HETATM 112 O UNK 0 0.572 -2.316 -1.168 0.00 0.00 O+0 HETATM 113 N UNK 0 0.061 -4.095 -2.513 0.00 0.00 N+0 HETATM 114 C UNK 0 1.183 -4.897 -2.021 0.00 0.00 C+0 HETATM 115 C UNK 0 1.767 -5.633 -3.244 0.00 0.00 C+0 HETATM 116 O UNK 0 2.752 -6.540 -2.913 0.00 0.00 O+0 HETATM 117 C UNK 0 0.876 -5.922 -1.027 0.00 0.00 C+0 HETATM 118 C UNK 0 2.097 -6.582 -0.514 0.00 0.00 C+0 HETATM 119 C UNK 0 3.321 -5.915 -0.351 0.00 0.00 C+0 HETATM 120 C UNK 0 4.422 -6.430 0.278 0.00 0.00 C+0 HETATM 121 C UNK 0 4.318 -7.729 0.796 0.00 0.00 C+0 HETATM 122 C UNK 0 3.122 -8.429 0.657 0.00 0.00 C+0 HETATM 123 C UNK 0 2.032 -7.853 0.008 0.00 0.00 C+0 HETATM 124 C UNK 0 -3.761 -5.663 4.655 0.00 0.00 C+0 HETATM 125 C UNK 0 -5.184 -5.184 4.296 0.00 0.00 C+0 HETATM 126 C UNK 0 -3.901 -6.794 5.662 0.00 0.00 C+0 HETATM 127 H UNK 0 6.074 0.511 2.555 0.00 0.00 H+0 HETATM 128 H UNK 0 6.468 0.683 4.249 0.00 0.00 H+0 HETATM 129 H UNK 0 6.438 -0.987 3.458 0.00 0.00 H+0 HETATM 130 H UNK 0 4.563 -0.144 5.103 0.00 0.00 H+0 HETATM 131 H UNK 0 4.123 -1.180 3.726 0.00 0.00 H+0 HETATM 132 H UNK 0 4.971 2.504 3.604 0.00 0.00 H+0 HETATM 133 H UNK 0 3.304 2.890 4.252 0.00 0.00 H+0 HETATM 134 H UNK 0 4.381 1.901 5.233 0.00 0.00 H+0 HETATM 135 H UNK 0 3.498 2.102 1.865 0.00 0.00 H+0 HETATM 136 H UNK 0 4.244 2.679 0.429 0.00 0.00 H+0 HETATM 137 H UNK 0 3.677 2.626 -1.221 0.00 0.00 H+0 HETATM 138 H UNK 0 2.426 2.411 0.066 0.00 0.00 H+0 HETATM 139 H UNK 0 5.665 1.522 0.230 0.00 0.00 H+0 HETATM 140 H UNK 0 5.486 1.022 -1.440 0.00 0.00 H+0 HETATM 141 H UNK 0 5.671 -0.249 -0.121 0.00 0.00 H+0 HETATM 142 H UNK 0 2.578 0.770 -2.048 0.00 0.00 H+0 HETATM 143 H UNK 0 1.993 -0.449 -3.561 0.00 0.00 H+0 HETATM 144 H UNK 0 3.382 -0.144 -5.323 0.00 0.00 H+0 HETATM 145 H UNK 0 4.185 0.576 -3.831 0.00 0.00 H+0 HETATM 146 H UNK 0 4.728 -1.051 -4.567 0.00 0.00 H+0 HETATM 147 H UNK 0 3.068 -3.088 -4.571 0.00 0.00 H+0 HETATM 148 H UNK 0 1.856 -3.561 -6.874 0.00 0.00 H+0 HETATM 149 H UNK 0 0.708 -1.002 -7.796 0.00 0.00 H+0 HETATM 150 H UNK 0 2.409 -1.565 -7.873 0.00 0.00 H+0 HETATM 151 H UNK 0 1.673 -3.469 -8.927 0.00 0.00 H+0 HETATM 152 H UNK 0 -0.388 -3.858 -5.874 0.00 0.00 H+0 HETATM 153 H UNK 0 -2.512 -4.114 -8.906 0.00 0.00 H+0 HETATM 154 H UNK 0 -4.051 -3.268 -8.677 0.00 0.00 H+0 HETATM 155 H UNK 0 -3.843 -4.867 -7.933 0.00 0.00 H+0 HETATM 156 H UNK 0 -3.547 -4.929 -5.943 0.00 0.00 H+0 HETATM 157 H UNK 0 -2.377 -4.038 -4.917 0.00 0.00 H+0 HETATM 158 H UNK 0 -1.783 -5.104 -6.256 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.288 -1.202 -6.829 0.00 0.00 H+0 HETATM 160 H UNK 0 -5.186 -0.326 -5.718 0.00 0.00 H+0 HETATM 161 H UNK 0 -5.976 -1.502 -4.581 0.00 0.00 H+0 HETATM 162 H UNK 0 -6.658 -1.207 -6.204 0.00 0.00 H+0 HETATM 163 H UNK 0 3.139 0.707 6.211 0.00 0.00 H+0 HETATM 164 H UNK 0 1.169 -1.358 5.847 0.00 0.00 H+0 HETATM 165 H UNK 0 2.463 -0.015 8.265 0.00 0.00 H+0 HETATM 166 H UNK 0 3.070 -1.378 7.217 0.00 0.00 H+0 HETATM 167 H UNK 0 0.509 -1.768 8.868 0.00 0.00 H+0 HETATM 168 H UNK 0 1.521 -2.927 7.851 0.00 0.00 H+0 HETATM 169 H UNK 0 1.669 -4.211 10.575 0.00 0.00 H+0 HETATM 170 H UNK 0 1.081 -2.641 11.255 0.00 0.00 H+0 HETATM 171 H UNK 0 -0.214 -2.017 6.777 0.00 0.00 H+0 HETATM 172 H UNK 0 -2.193 -3.385 9.084 0.00 0.00 H+0 HETATM 173 H UNK 0 -3.091 -1.898 9.571 0.00 0.00 H+0 HETATM 174 H UNK 0 -1.375 -1.878 9.726 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.022 0.080 7.441 0.00 0.00 H+0 HETATM 176 H UNK 0 -3.993 -1.249 8.304 0.00 0.00 H+0 HETATM 177 H UNK 0 -3.814 -1.174 6.517 0.00 0.00 H+0 HETATM 178 H UNK 0 -4.046 -3.827 6.755 0.00 0.00 H+0 HETATM 179 H UNK 0 -3.008 -3.717 4.232 0.00 0.00 H+0 HETATM 180 H UNK 0 -1.629 -4.353 2.874 0.00 0.00 H+0 HETATM 181 H UNK 0 1.245 -3.615 5.109 0.00 0.00 H+0 HETATM 182 H UNK 0 2.446 -4.106 3.849 0.00 0.00 H+0 HETATM 183 H UNK 0 1.457 -5.339 4.688 0.00 0.00 H+0 HETATM 184 H UNK 0 1.124 -4.290 1.149 0.00 0.00 H+0 HETATM 185 H UNK 0 2.207 -5.061 2.271 0.00 0.00 H+0 HETATM 186 H UNK 0 0.716 -5.953 1.882 0.00 0.00 H+0 HETATM 187 H UNK 0 -1.597 -2.831 2.618 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.562 -0.849 2.777 0.00 0.00 H+0 HETATM 189 H UNK 0 -1.188 -0.269 3.833 0.00 0.00 H+0 HETATM 190 H UNK 0 -1.114 2.047 0.957 0.00 0.00 H+0 HETATM 191 H UNK 0 -2.932 2.389 3.351 0.00 0.00 H+0 HETATM 192 H UNK 0 -2.665 4.610 2.787 0.00 0.00 H+0 HETATM 193 H UNK 0 -1.237 4.271 1.586 0.00 0.00 H+0 HETATM 194 H UNK 0 0.238 3.779 3.309 0.00 0.00 H+0 HETATM 195 H UNK 0 -1.420 6.176 4.152 0.00 0.00 H+0 HETATM 196 H UNK 0 -0.673 6.045 2.568 0.00 0.00 H+0 HETATM 197 H UNK 0 0.401 6.027 4.016 0.00 0.00 H+0 HETATM 198 H UNK 0 -1.868 4.577 5.412 0.00 0.00 H+0 HETATM 199 H UNK 0 -1.660 2.772 5.003 0.00 0.00 H+0 HETATM 200 H UNK 0 -0.227 3.723 5.590 0.00 0.00 H+0 HETATM 201 H UNK 0 -2.738 4.565 0.940 0.00 0.00 H+0 HETATM 202 H UNK 0 -5.596 5.428 1.601 0.00 0.00 H+0 HETATM 203 H UNK 0 -6.472 4.315 0.542 0.00 0.00 H+0 HETATM 204 H UNK 0 -6.148 6.019 0.001 0.00 0.00 H+0 HETATM 205 H UNK 0 -4.724 2.672 -0.887 0.00 0.00 H+0 HETATM 206 H UNK 0 -6.066 3.743 -1.235 0.00 0.00 H+0 HETATM 207 H UNK 0 -4.579 3.996 -2.211 0.00 0.00 H+0 HETATM 208 H UNK 0 -4.729 7.565 0.998 0.00 0.00 H+0 HETATM 209 H UNK 0 -3.502 6.515 1.784 0.00 0.00 H+0 HETATM 210 H UNK 0 -3.455 9.490 1.232 0.00 0.00 H+0 HETATM 211 H UNK 0 -2.592 8.536 2.518 0.00 0.00 H+0 HETATM 212 H UNK 0 -0.893 7.889 0.962 0.00 0.00 H+0 HETATM 213 H UNK 0 -1.304 9.508 0.332 0.00 0.00 H+0 HETATM 214 H UNK 0 -2.946 8.877 -1.050 0.00 0.00 H+0 HETATM 215 H UNK 0 0.188 7.011 -0.338 0.00 0.00 H+0 HETATM 216 H UNK 0 0.968 8.146 -2.936 0.00 0.00 H+0 HETATM 217 H UNK 0 2.817 8.516 -1.642 0.00 0.00 H+0 HETATM 218 H UNK 0 3.188 7.215 -2.753 0.00 0.00 H+0 HETATM 219 H UNK 0 2.915 5.504 -0.886 0.00 0.00 H+0 HETATM 220 H UNK 0 1.993 6.185 1.010 0.00 0.00 H+0 HETATM 221 H UNK 0 2.083 7.944 0.618 0.00 0.00 H+0 HETATM 222 H UNK 0 3.491 7.192 1.335 0.00 0.00 H+0 HETATM 223 H UNK 0 5.122 5.765 -1.179 0.00 0.00 H+0 HETATM 224 H UNK 0 5.095 7.571 -1.237 0.00 0.00 H+0 HETATM 225 H UNK 0 5.108 6.685 0.321 0.00 0.00 H+0 HETATM 226 H UNK 0 2.840 5.264 -3.076 0.00 0.00 H+0 HETATM 227 H UNK 0 2.366 3.727 -6.457 0.00 0.00 H+0 HETATM 228 H UNK 0 2.646 5.386 -5.868 0.00 0.00 H+0 HETATM 229 H UNK 0 0.960 4.915 -6.202 0.00 0.00 H+0 HETATM 230 H UNK 0 3.827 3.614 -3.925 0.00 0.00 H+0 HETATM 231 H UNK 0 3.062 2.383 -4.988 0.00 0.00 H+0 HETATM 232 H UNK 0 2.625 2.519 -3.227 0.00 0.00 H+0 HETATM 233 H UNK 0 0.971 1.481 -3.888 0.00 0.00 H+0 HETATM 234 H UNK 0 -3.024 2.631 -3.518 0.00 0.00 H+0 HETATM 235 H UNK 0 -2.232 1.966 -2.039 0.00 0.00 H+0 HETATM 236 H UNK 0 -1.597 3.432 -2.819 0.00 0.00 H+0 HETATM 237 H UNK 0 -2.384 2.866 -5.387 0.00 0.00 H+0 HETATM 238 H UNK 0 -2.184 1.142 -5.854 0.00 0.00 H+0 HETATM 239 H UNK 0 -0.801 2.245 -6.052 0.00 0.00 H+0 HETATM 240 H UNK 0 -1.029 -0.057 -1.732 0.00 0.00 H+0 HETATM 241 H UNK 0 -1.226 -2.248 -3.777 0.00 0.00 H+0 HETATM 242 H UNK 0 -2.738 -3.429 -2.118 0.00 0.00 H+0 HETATM 243 H UNK 0 -3.331 -2.138 -3.124 0.00 0.00 H+0 HETATM 244 H UNK 0 -2.852 -2.108 -0.107 0.00 0.00 H+0 HETATM 245 H UNK 0 -3.095 -0.584 -1.086 0.00 0.00 H+0 HETATM 246 H UNK 0 -5.387 -1.183 0.737 0.00 0.00 H+0 HETATM 247 H UNK 0 -6.045 -0.400 -0.742 0.00 0.00 H+0 HETATM 248 H UNK 0 -0.545 -4.509 -3.208 0.00 0.00 H+0 HETATM 249 H UNK 0 1.911 -4.115 -1.628 0.00 0.00 H+0 HETATM 250 H UNK 0 2.215 -4.902 -3.950 0.00 0.00 H+0 HETATM 251 H UNK 0 0.962 -6.152 -3.791 0.00 0.00 H+0 HETATM 252 H UNK 0 2.422 -7.475 -3.007 0.00 0.00 H+0 HETATM 253 H UNK 0 0.080 -5.753 -0.324 0.00 0.00 H+0 HETATM 254 H UNK 0 0.428 -6.798 -1.687 0.00 0.00 H+0 HETATM 255 H UNK 0 3.402 -4.932 -0.760 0.00 0.00 H+0 HETATM 256 H UNK 0 5.328 -5.866 0.348 0.00 0.00 H+0 HETATM 257 H UNK 0 5.193 -8.130 1.297 0.00 0.00 H+0 HETATM 258 H UNK 0 3.080 -9.397 1.081 0.00 0.00 H+0 HETATM 259 H UNK 0 1.154 -8.466 -0.037 0.00 0.00 H+0 HETATM 260 H UNK 0 -3.367 -6.153 3.700 0.00 0.00 H+0 HETATM 261 H UNK 0 -5.567 -5.718 3.430 0.00 0.00 H+0 HETATM 262 H UNK 0 -5.236 -4.126 4.058 0.00 0.00 H+0 HETATM 263 H UNK 0 -5.837 -5.485 5.172 0.00 0.00 H+0 HETATM 264 H UNK 0 -4.257 -7.642 5.081 0.00 0.00 H+0 HETATM 265 H UNK 0 -4.697 -6.553 6.394 0.00 0.00 H+0 HETATM 266 H UNK 0 -2.948 -7.067 6.091 0.00 0.00 H+0 CONECT 1 2 127 128 129 CONECT 2 1 3 130 131 CONECT 3 2 4 5 32 CONECT 4 3 132 133 134 CONECT 5 3 6 135 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 10 11 CONECT 9 8 136 137 138 CONECT 10 8 139 140 141 CONECT 11 8 12 142 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 16 143 CONECT 15 14 144 145 146 CONECT 16 14 17 147 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 20 22 148 CONECT 20 19 21 149 150 CONECT 21 20 151 CONECT 22 19 23 152 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 27 28 CONECT 26 25 153 154 155 CONECT 27 25 156 157 158 CONECT 28 25 29 159 CONECT 29 28 30 31 CONECT 30 29 160 161 162 CONECT 31 29 CONECT 32 3 33 34 CONECT 33 32 CONECT 34 32 35 163 CONECT 35 34 36 41 164 CONECT 36 35 37 165 166 CONECT 37 36 38 167 168 CONECT 38 37 39 40 CONECT 39 38 169 170 CONECT 40 38 CONECT 41 35 42 43 CONECT 42 41 CONECT 43 41 44 171 CONECT 44 43 45 46 47 CONECT 45 44 172 173 174 CONECT 46 44 175 176 177 CONECT 47 44 48 49 CONECT 48 47 CONECT 49 47 50 178 CONECT 50 49 51 124 179 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 54 180 CONECT 54 53 55 56 57 CONECT 55 54 181 182 183 CONECT 56 54 184 185 186 CONECT 57 54 58 59 CONECT 58 57 CONECT 59 57 60 187 CONECT 60 59 61 188 189 CONECT 61 60 62 63 CONECT 62 61 CONECT 63 61 64 190 CONECT 64 63 65 69 191 CONECT 65 64 66 192 193 CONECT 66 65 67 68 194 CONECT 67 66 195 196 197 CONECT 68 66 198 199 200 CONECT 69 64 70 71 CONECT 70 69 CONECT 71 69 72 201 CONECT 72 71 73 74 75 CONECT 73 72 202 203 204 CONECT 74 72 205 206 207 CONECT 75 72 76 77 CONECT 76 75 CONECT 77 75 78 81 CONECT 78 77 79 208 209 CONECT 79 78 80 210 211 CONECT 80 79 81 212 213 CONECT 81 80 82 77 214 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 85 215 CONECT 85 84 86 90 216 CONECT 86 85 87 217 218 CONECT 87 86 88 89 219 CONECT 88 87 220 221 222 CONECT 89 87 223 224 225 CONECT 90 85 91 92 CONECT 91 90 CONECT 92 90 93 226 CONECT 93 92 94 95 96 CONECT 94 93 227 228 229 CONECT 95 93 230 231 232 CONECT 96 93 97 98 CONECT 97 96 CONECT 98 96 99 233 CONECT 99 98 100 101 102 CONECT 100 99 234 235 236 CONECT 101 99 237 238 239 CONECT 102 99 103 104 CONECT 103 102 CONECT 104 102 105 240 CONECT 105 104 106 111 241 CONECT 106 105 107 242 243 CONECT 107 106 108 244 245 CONECT 108 107 109 110 CONECT 109 108 246 247 CONECT 110 108 CONECT 111 105 112 113 CONECT 112 111 CONECT 113 111 114 248 CONECT 114 113 115 117 249 CONECT 115 114 116 250 251 CONECT 116 115 252 CONECT 117 114 118 253 254 CONECT 118 117 119 123 CONECT 119 118 120 255 CONECT 120 119 121 256 CONECT 121 120 122 257 CONECT 122 121 123 258 CONECT 123 122 118 259 CONECT 124 50 125 126 260 CONECT 125 124 261 262 263 CONECT 126 124 264 265 266 CONECT 127 1 CONECT 128 1 CONECT 129 1 CONECT 130 2 CONECT 131 2 CONECT 132 4 CONECT 133 4 CONECT 134 4 CONECT 135 5 CONECT 136 9 CONECT 137 9 CONECT 138 9 CONECT 139 10 CONECT 140 10 CONECT 141 10 CONECT 142 11 CONECT 143 14 CONECT 144 15 CONECT 145 15 CONECT 146 15 CONECT 147 16 CONECT 148 19 CONECT 149 20 CONECT 150 20 CONECT 151 21 CONECT 152 22 CONECT 153 26 CONECT 154 26 CONECT 155 26 CONECT 156 27 CONECT 157 27 CONECT 158 27 CONECT 159 28 CONECT 160 30 CONECT 161 30 CONECT 162 30 CONECT 163 34 CONECT 164 35 CONECT 165 36 CONECT 166 36 CONECT 167 37 CONECT 168 37 CONECT 169 39 CONECT 170 39 CONECT 171 43 CONECT 172 45 CONECT 173 45 CONECT 174 45 CONECT 175 46 CONECT 176 46 CONECT 177 46 CONECT 178 49 CONECT 179 50 CONECT 180 53 CONECT 181 55 CONECT 182 55 CONECT 183 55 CONECT 184 56 CONECT 185 56 CONECT 186 56 CONECT 187 59 CONECT 188 60 CONECT 189 60 CONECT 190 63 CONECT 191 64 CONECT 192 65 CONECT 193 65 CONECT 194 66 CONECT 195 67 CONECT 196 67 CONECT 197 67 CONECT 198 68 CONECT 199 68 CONECT 200 68 CONECT 201 71 CONECT 202 73 CONECT 203 73 CONECT 204 73 CONECT 205 74 CONECT 206 74 CONECT 207 74 CONECT 208 78 CONECT 209 78 CONECT 210 79 CONECT 211 79 CONECT 212 80 CONECT 213 80 CONECT 214 81 CONECT 215 84 CONECT 216 85 CONECT 217 86 CONECT 218 86 CONECT 219 87 CONECT 220 88 CONECT 221 88 CONECT 222 88 CONECT 223 89 CONECT 224 89 CONECT 225 89 CONECT 226 92 CONECT 227 94 CONECT 228 94 CONECT 229 94 CONECT 230 95 CONECT 231 95 CONECT 232 95 CONECT 233 98 CONECT 234 100 CONECT 235 100 CONECT 236 100 CONECT 237 101 CONECT 238 101 CONECT 239 101 CONECT 240 104 CONECT 241 105 CONECT 242 106 CONECT 243 106 CONECT 244 107 CONECT 245 107 CONECT 246 109 CONECT 247 109 CONECT 248 113 CONECT 249 114 CONECT 250 115 CONECT 251 115 CONECT 252 116 CONECT 253 117 CONECT 254 117 CONECT 255 119 CONECT 256 120 CONECT 257 121 CONECT 258 122 CONECT 259 123 CONECT 260 124 CONECT 261 125 CONECT 262 125 CONECT 263 125 CONECT 264 126 CONECT 265 126 CONECT 266 126 MASTER 0 0 0 0 0 0 0 0 266 0 534 0 END SMILES for NP0023667 (Trichorzin PA VI)[H]OC([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])[C@](C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@@]([H])(C(=O)N([H])C(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])C(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0023667 (Trichorzin PA VI)InChI=1S/C84H140N20O22/c1-25-84(24,103-74(124)82(20,21)97-61(111)47(8)88-63(113)55(43-106)94-70(120)78(12,13)96-48(9)107)75(125)93-52(34-36-58(86)109)64(114)98-79(14,15)72(122)95-60(46(6)7)68(118)101-77(10,11)69(119)87-41-59(110)90-53(38-44(2)3)65(115)100-83(22,23)76(126)104-37-29-32-56(104)67(117)91-54(39-45(4)5)66(116)99-81(18,19)73(123)102-80(16,17)71(121)92-51(33-35-57(85)108)62(112)89-50(42-105)40-49-30-27-26-28-31-49/h26-28,30-31,44-47,50-56,60,105-106H,25,29,32-43H2,1-24H3,(H2,85,108)(H2,86,109)(H,87,119)(H,88,113)(H,89,112)(H,90,110)(H,91,117)(H,92,121)(H,93,125)(H,94,120)(H,95,122)(H,96,107)(H,97,111)(H,98,114)(H,99,116)(H,100,115)(H,101,118)(H,102,123)(H,103,124)/t47-,50+,51-,52+,53+,54+,55+,56+,60-,84-/m1/s1 3D Structure for NP0023667 (Trichorzin PA VI) | ||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C84H140N20O22 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1782.1620 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1781.04511 Da | ||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-N-(1-{[(1R)-1-({1-[({[(1S)-1-({1-[(2S)-2-{[(1S)-1-({1-[(1-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylpropanamido}-2-methylbutanamido]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-N-(1-{[(1R)-1-({1-[({[(1S)-1-({1-[(2S)-2-{[(1S)-1-({1-[(1-{[(1R)-3-carbamoyl-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}propyl]carbamoyl}-1-methylethyl)carbamoyl]-1-methylethyl}carbamoyl)-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)-3-methylbutyl]carbamoyl}methyl)carbamoyl]-1-methylethyl}carbamoyl)-2-methylpropyl]carbamoyl}-1-methylethyl)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-(2-acetamido-2-methylpropanamido)-3-hydroxypropanamido]propanamido]-2-methylpropanamido}-2-methylbutanamido]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCC(C)(NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC1=CC=CC=C1 | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C84H140N20O22/c1-25-84(24,103-74(124)82(20,21)97-61(111)47(8)88-63(113)55(43-106)94-70(120)78(12,13)96-48(9)107)75(125)93-52(34-36-58(86)109)64(114)98-79(14,15)72(122)95-60(46(6)7)68(118)101-77(10,11)69(119)87-41-59(110)90-53(38-44(2)3)65(115)100-83(22,23)76(126)104-37-29-32-56(104)67(117)91-54(39-45(4)5)66(116)99-81(18,19)73(123)102-80(16,17)71(121)92-51(33-35-57(85)108)62(112)89-50(42-105)40-49-30-27-26-28-31-49/h26-28,30-31,44-47,50-56,60,105-106H,25,29,32-43H2,1-24H3,(H2,85,108)(H2,86,109)(H,87,119)(H,88,113)(H,89,112)(H,90,110)(H,91,117)(H,92,121)(H,93,125)(H,94,120)(H,95,122)(H,96,107)(H,97,111)(H,98,114)(H,99,116)(H,100,115)(H,101,118)(H,102,123)(H,103,124) | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DQTKEFFEXANHRF-UHFFFAOYSA-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 | |||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. | ||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic Polymers | ||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteromonocyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA004871 | ||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444002 | ||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139584454 | ||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||
| General References | |||||||||||||||||||||||||||||||||||||||||||||||||
