Showing NP-Card for Grassypeptolide F (NP0010220)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 19:48:54 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:05:29 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0010220 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Grassypeptolide F | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Grassypeptolide F is found in Lyngbya majuscula. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0010220 (Grassypeptolide F)
Mrv1652307012121313D
159165 0 0 0 0 999 V2000
2.8866 6.9069 -2.4179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8204 6.3924 -0.9964 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9546 5.1520 -0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
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-0.5664 -3.5445 1.0170 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.9468 -1.8306 1.2888 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.8989 -2.7144 -0.2105 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7910 -2.9386 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5962 -3.2165 -1.3683 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2609 -2.4624 -2.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.9270 -3.2504 -2.8872 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2103 -0.4545 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.6904 1.4034 2.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0342 0.3753 3.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.3428 1.8795 4.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.3743 -1.3744 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.0958 -3.9426 -2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.2640 -2.5340 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.0744 0.3944 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1522 2.0826 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.9860 2.0531 5.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0010220 (Grassypeptolide F)
RDKit 3D
159165 0 0 0 0 0 0 0 0999 V2000
2.8866 6.9069 -2.4179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8204 6.3924 -0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9546 5.1520 -0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5965 5.4665 -1.3343 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4731 4.5392 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2201 4.4821 -2.3101 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7827 3.6409 -0.1502 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2907 2.2059 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4814 1.3771 0.7515 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.6274 2.7422 0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1766 3.5944 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8924 3.0681 1.5505 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4038 4.4103 1.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
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77159 1 0
M END
3D SDF for NP0010220 (Grassypeptolide F)
Mrv1652307012121313D
159165 0 0 0 0 999 V2000
2.8866 6.9069 -2.4179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8204 6.3924 -0.9964 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9546 5.1520 -0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
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4.5271 0.5383 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0744 0.3944 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1522 2.0826 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6945 -0.6469 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1528 -0.1622 5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9860 2.0531 5.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3724 3.8803 4.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9334 3.5233 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3377 3.3080 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8057 1.5657 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1969 2.2523 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4699 3.8314 -2.9935 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1134 1.1226 -2.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7852 1.7989 -4.0625 H 0 0 0 0 0 0 0 0 0 0 0 0
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58 60 1 0 0 0 0
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21100 1 0 0 0 0
21101 1 0 0 0 0
24102 1 1 0 0 0
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26105 1 0 0 0 0
26106 1 0 0 0 0
27107 1 0 0 0 0
27108 1 0 0 0 0
31109 1 6 0 0 0
32110 1 6 0 0 0
33111 1 0 0 0 0
33112 1 0 0 0 0
33113 1 0 0 0 0
34114 1 0 0 0 0
34115 1 0 0 0 0
34116 1 0 0 0 0
36117 1 0 0 0 0
36118 1 0 0 0 0
36119 1 0 0 0 0
39120 1 6 0 0 0
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40122 1 0 0 0 0
42123 1 0 0 0 0
43124 1 0 0 0 0
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45126 1 0 0 0 0
46127 1 0 0 0 0
50128 1 6 0 0 0
51129 1 0 0 0 0
51130 1 0 0 0 0
51131 1 0 0 0 0
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53134 1 0 0 0 0
53135 1 0 0 0 0
54136 1 0 0 0 0
57137 1 6 0 0 0
58138 1 6 0 0 0
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60142 1 0 0 0 0
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67149 1 0 0 0 0
68150 1 0 0 0 0
69151 1 0 0 0 0
70152 1 0 0 0 0
71153 1 0 0 0 0
73154 1 0 0 0 0
73155 1 0 0 0 0
73156 1 0 0 0 0
76157 1 6 0 0 0
77158 1 0 0 0 0
77159 1 0 0 0 0
M END
> <DATABASE_ID>
NP0010220
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]N1C(=O)[C@@]2([H])N=C(SC2([H])[H])[C@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@]3([H])N=C(SC3([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H]
> <INCHI_IDENTIFIER>
InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44-,45+,46-,47-,48+,49+,50+/m1/s1
> <INCHI_KEY>
OMAHHNNQYKBGML-XCCIRJLLSA-N
> <FORMULA>
C60H79N9O9S2
> <MOLECULAR_WEIGHT>
1134.47
> <EXACT_MASS>
1133.544217508
> <JCHEM_ACCEPTOR_COUNT>
10
> <JCHEM_ATOM_COUNT>
159
> <JCHEM_AVERAGE_POLARIZABILITY>
123.58566808229763
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
3
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R,5R,9R,12S,18S,21S,24R,25R,28S,31R,34S)-9,21,31-tribenzyl-2-ethyl-10,19,24,25,32-pentamethyl-18,28-bis(propan-2-yl)-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonaazatetracyclo[32.2.1.1^{5,8}.0^{12,16}]octatriaconta-1(37),8(38)-dien-4,11,17,20,23,27,30,33-octone
> <ALOGPS_LOGP>
5.19
> <JCHEM_LOGP>
6.066184878333333
> <ALOGPS_LOGS>
-5.39
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.725027166968488
> <JCHEM_PKA_STRONGEST_ACIDIC>
12.11488397362968
> <JCHEM_PKA_STRONGEST_BASIC>
1.8875163877485746
> <JCHEM_POLAR_SURFACE_AREA>
219.56
> <JCHEM_REFRACTIVITY>
308.5450000000002
> <JCHEM_ROTATABLE_BOND_COUNT>
9
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
4.66e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R,5R,9R,12S,18S,21S,24R,25R,28S,31R,34S)-9,21,31-tribenzyl-2-ethyl-18,28-diisopropyl-10,19,24,25,32-pentamethyl-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonaazatetracyclo[32.2.1.1^{5,8}.0^{12,16}]octatriaconta-1(37),8(38)-dien-4,11,17,20,23,27,30,33-octone
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0010220 (Grassypeptolide F)
RDKit 3D
159165 0 0 0 0 0 0 0 0999 V2000
2.8866 6.9069 -2.4179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8204 6.3924 -0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9546 5.1520 -0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0
0.5965 5.4665 -1.3343 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4731 4.5392 -1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0237 -6.5335 2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.7910 -2.9386 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.9684 -1.5508 -0.8498 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2103 -0.4545 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1668 -0.6376 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4179 0.8153 -0.0061 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8113 1.1858 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6904 1.4034 2.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0342 0.3753 3.2691 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8476 0.6216 4.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3428 1.8795 4.6353 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9707 2.8840 3.7691 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1612 2.6566 2.6898 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1185 1.8638 -0.7134 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4293 2.2508 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6665 2.5210 -1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6315 2.7638 -2.7149 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3552 2.9415 -2.2910 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4754 1.9915 -3.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9914 3.1154 -3.0368 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5240 4.0105 -1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5984 3.4758 -1.1970 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0022 6.0748 -3.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0429 7.5816 -2.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8043 7.5218 -2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4131 7.2182 -0.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8348 6.1654 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9105 4.9291 0.2144 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 6.4308 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2881 3.9691 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 2.0186 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4691 1.8893 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5344 3.1819 2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6265 5.1707 1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5981 4.5170 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0690 4.0552 0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0499 4.8349 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8283 6.0687 3.7555 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6250 6.5514 4.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6032 5.7694 3.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5801 1.0378 3.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8286 1.9090 2.2876 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6863 2.7879 3.3429 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6588 0.1786 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4231 1.4869 -2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3771 2.7558 -1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8956 2.2666 -1.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5237 2.4924 -2.7516 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3875 0.2699 -3.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6539 0.1229 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.0096 -6.2598 1.8759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2680 -3.7945 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2229 -5.0103 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9579 -4.9566 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6623 -5.7915 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5679 -1.6800 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6406 -3.6174 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2396 -3.4206 1.8435 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2151 -1.9897 1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6007 -4.2780 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9833 -0.4420 -2.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -1.8062 -4.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3743 -1.3744 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3246 0.0610 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0755 -0.8195 -4.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0958 -3.9426 -2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.5271 0.5383 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0744 0.3944 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1522 2.0826 1.0991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6945 -0.6469 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1528 -0.1622 5.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9860 2.0531 5.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3724 3.8803 4.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9334 3.5233 2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3377 3.3080 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8057 1.5657 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1969 2.2523 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4699 3.8314 -2.9935 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1134 1.1226 -2.4831 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7852 1.7989 -4.0625 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
12 20 1 0
20 21 1 0
20 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 2 0
29 31 1 0
31 32 1 0
32 33 1 0
32 34 1 0
31 35 1 0
35 36 1 0
35 37 1 0
37 38 2 0
37 39 1 0
39 40 1 0
40 41 1 0
41 42 2 0
42 43 1 0
43 44 2 0
44 45 1 0
45 46 2 0
39 47 1 0
47 48 1 0
48 49 2 0
48 50 1 0
50 51 1 0
50 52 1 0
52 53 1 0
52 54 1 0
54 55 1 0
55 56 2 0
55 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
57 61 1 0
61 62 1 0
62 63 2 0
62 64 1 0
64 65 1 0
65 66 1 0
66 67 2 0
67 68 1 0
68 69 2 0
69 70 1 0
70 71 2 0
64 72 1 0
72 73 1 0
72 74 1 0
74 75 2 0
74 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
79 80 2 0
79 3 1 0
11 7 1 0
19 14 1 0
28 24 1 0
46 41 1 0
71 66 1 0
80 76 1 0
1 81 1 0
1 82 1 0
1 83 1 0
2 84 1 0
2 85 1 0
3 86 1 1
4 87 1 0
7 88 1 1
8 89 1 0
8 90 1 0
12 91 1 1
13 92 1 0
13 93 1 0
15 94 1 0
16 95 1 0
17 96 1 0
18 97 1 0
19 98 1 0
21 99 1 0
21100 1 0
21101 1 0
24102 1 1
25103 1 0
25104 1 0
26105 1 0
26106 1 0
27107 1 0
27108 1 0
31109 1 6
32110 1 6
33111 1 0
33112 1 0
33113 1 0
34114 1 0
34115 1 0
34116 1 0
36117 1 0
36118 1 0
36119 1 0
39120 1 6
40121 1 0
40122 1 0
42123 1 0
43124 1 0
44125 1 0
45126 1 0
46127 1 0
50128 1 6
51129 1 0
51130 1 0
51131 1 0
52132 1 6
53133 1 0
53134 1 0
53135 1 0
54136 1 0
57137 1 6
58138 1 6
59139 1 0
59140 1 0
59141 1 0
60142 1 0
60143 1 0
60144 1 0
61145 1 0
64146 1 6
65147 1 0
65148 1 0
67149 1 0
68150 1 0
69151 1 0
70152 1 0
71153 1 0
73154 1 0
73155 1 0
73156 1 0
76157 1 6
77158 1 0
77159 1 0
M END
PDB for NP0010220 (Grassypeptolide F)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 2.887 6.907 -2.418 0.00 0.00 C+0 HETATM 2 C UNK 0 2.820 6.392 -0.996 0.00 0.00 C+0 HETATM 3 C UNK 0 1.955 5.152 -0.895 0.00 0.00 C+0 HETATM 4 N UNK 0 0.597 5.466 -1.334 0.00 0.00 N+0 HETATM 5 C UNK 0 -0.473 4.539 -1.289 0.00 0.00 C+0 HETATM 6 O UNK 0 -1.220 4.482 -2.310 0.00 0.00 O+0 HETATM 7 C UNK 0 -0.783 3.641 -0.150 0.00 0.00 C+0 HETATM 8 C UNK 0 -0.291 2.206 -0.397 0.00 0.00 C+0 HETATM 9 S UNK 0 -1.481 1.377 0.752 0.00 0.00 S+0 HETATM 10 C UNK 0 -2.627 2.742 0.820 0.00 0.00 C+0 HETATM 11 N UNK 0 -2.177 3.594 0.024 0.00 0.00 N+0 HETATM 12 C UNK 0 -3.892 3.068 1.551 0.00 0.00 C+0 HETATM 13 C UNK 0 -4.404 4.410 1.172 0.00 0.00 C+0 HETATM 14 C UNK 0 -5.628 4.831 1.864 0.00 0.00 C+0 HETATM 15 C UNK 0 -6.908 4.599 1.414 0.00 0.00 C+0 HETATM 16 C UNK 0 -8.046 5.025 2.065 0.00 0.00 C+0 HETATM 17 C UNK 0 -7.936 5.729 3.238 0.00 0.00 C+0 HETATM 18 C UNK 0 -6.694 5.986 3.728 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.567 5.555 3.071 0.00 0.00 C+0 HETATM 20 N UNK 0 -4.816 1.968 1.544 0.00 0.00 N+0 HETATM 21 C UNK 0 -5.797 1.966 2.667 0.00 0.00 C+0 HETATM 22 C UNK 0 -4.901 0.879 0.678 0.00 0.00 C+0 HETATM 23 O UNK 0 -5.266 -0.223 1.275 0.00 0.00 O+0 HETATM 24 C UNK 0 -4.677 0.669 -0.744 0.00 0.00 C+0 HETATM 25 C UNK 0 -4.834 1.816 -1.660 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.331 1.873 -1.857 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.620 0.425 -2.150 0.00 0.00 C+0 HETATM 28 N UNK 0 -5.676 -0.277 -1.250 0.00 0.00 N+0 HETATM 29 C UNK 0 -5.751 -1.652 -0.927 0.00 0.00 C+0 HETATM 30 O UNK 0 -6.934 -2.090 -0.623 0.00 0.00 O+0 HETATM 31 C UNK 0 -4.685 -2.645 -0.893 0.00 0.00 C+0 HETATM 32 C UNK 0 -5.017 -3.842 -1.778 0.00 0.00 C+0 HETATM 33 C UNK 0 -5.207 -3.364 -3.230 0.00 0.00 C+0 HETATM 34 C UNK 0 -6.242 -4.586 -1.414 0.00 0.00 C+0 HETATM 35 N UNK 0 -4.216 -3.071 0.397 0.00 0.00 N+0 HETATM 36 C UNK 0 -5.251 -3.416 1.404 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.893 -3.197 0.848 0.00 0.00 C+0 HETATM 38 O UNK 0 -2.715 -2.691 2.042 0.00 0.00 O+0 HETATM 39 C UNK 0 -1.699 -3.783 0.236 0.00 0.00 C+0 HETATM 40 C UNK 0 -1.742 -5.258 -0.035 0.00 0.00 C+0 HETATM 41 C UNK 0 -1.988 -6.114 1.128 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.294 -6.506 1.351 0.00 0.00 C+0 HETATM 43 C UNK 0 -3.584 -7.294 2.432 0.00 0.00 C+0 HETATM 44 C UNK 0 -2.613 -7.712 3.306 0.00 0.00 C+0 HETATM 45 C UNK 0 -1.304 -7.332 3.100 0.00 0.00 C+0 HETATM 46 C UNK 0 -1.024 -6.534 2.003 0.00 0.00 C+0 HETATM 47 O UNK 0 -0.566 -3.545 1.017 0.00 0.00 O+0 HETATM 48 C UNK 0 0.615 -2.961 0.785 0.00 0.00 C+0 HETATM 49 O UNK 0 0.947 -1.831 1.289 0.00 0.00 O+0 HETATM 50 C UNK 0 1.636 -3.594 -0.082 0.00 0.00 C+0 HETATM 51 C UNK 0 2.136 -4.900 0.519 0.00 0.00 C+0 HETATM 52 C UNK 0 2.899 -2.714 -0.211 0.00 0.00 C+0 HETATM 53 C UNK 0 3.791 -2.939 1.000 0.00 0.00 C+0 HETATM 54 N UNK 0 3.596 -3.216 -1.368 0.00 0.00 N+0 HETATM 55 C UNK 0 4.261 -2.462 -2.357 0.00 0.00 C+0 HETATM 56 O UNK 0 3.933 -2.621 -3.590 0.00 0.00 O+0 HETATM 57 C UNK 0 5.338 -1.468 -2.146 0.00 0.00 C+0 HETATM 58 C UNK 0 6.447 -1.846 -3.149 0.00 0.00 C+0 HETATM 59 C UNK 0 7.622 -0.911 -3.045 0.00 0.00 C+0 HETATM 60 C UNK 0 6.927 -3.250 -2.887 0.00 0.00 C+0 HETATM 61 N UNK 0 5.968 -1.551 -0.850 0.00 0.00 N+0 HETATM 62 C UNK 0 6.210 -0.455 0.022 0.00 0.00 C+0 HETATM 63 O UNK 0 7.167 -0.638 0.838 0.00 0.00 O+0 HETATM 64 C UNK 0 5.418 0.815 -0.006 0.00 0.00 C+0 HETATM 65 C UNK 0 4.811 1.186 1.294 0.00 0.00 C+0 HETATM 66 C UNK 0 5.690 1.403 2.436 0.00 0.00 C+0 HETATM 67 C UNK 0 6.034 0.375 3.269 0.00 0.00 C+0 HETATM 68 C UNK 0 6.848 0.622 4.347 0.00 0.00 C+0 HETATM 69 C UNK 0 7.343 1.880 4.635 0.00 0.00 C+0 HETATM 70 C UNK 0 6.971 2.884 3.769 0.00 0.00 C+0 HETATM 71 C UNK 0 6.161 2.657 2.690 0.00 0.00 C+0 HETATM 72 N UNK 0 6.119 1.864 -0.713 0.00 0.00 N+0 HETATM 73 C UNK 0 7.429 2.251 -0.158 0.00 0.00 C+0 HETATM 74 C UNK 0 5.667 2.521 -1.890 0.00 0.00 C+0 HETATM 75 O UNK 0 6.632 2.764 -2.715 0.00 0.00 O+0 HETATM 76 C UNK 0 4.355 2.942 -2.291 0.00 0.00 C+0 HETATM 77 C UNK 0 3.475 1.992 -3.027 0.00 0.00 C+0 HETATM 78 S UNK 0 1.991 3.115 -3.037 0.00 0.00 S+0 HETATM 79 C UNK 0 2.524 4.011 -1.593 0.00 0.00 C+0 HETATM 80 N UNK 0 3.598 3.476 -1.197 0.00 0.00 N+0 HETATM 81 H UNK 0 3.002 6.075 -3.151 0.00 0.00 H+0 HETATM 82 H UNK 0 2.043 7.582 -2.658 0.00 0.00 H+0 HETATM 83 H UNK 0 3.804 7.522 -2.512 0.00 0.00 H+0 HETATM 84 H UNK 0 2.413 7.218 -0.381 0.00 0.00 H+0 HETATM 85 H UNK 0 3.835 6.165 -0.618 0.00 0.00 H+0 HETATM 86 H UNK 0 1.911 4.929 0.214 0.00 0.00 H+0 HETATM 87 H UNK 0 0.433 6.431 -1.696 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.288 3.969 0.789 0.00 0.00 H+0 HETATM 89 H UNK 0 0.695 2.019 0.025 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.469 1.889 -1.423 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.534 3.182 2.627 0.00 0.00 H+0 HETATM 92 H UNK 0 -3.627 5.171 1.469 0.00 0.00 H+0 HETATM 93 H UNK 0 -4.598 4.517 0.075 0.00 0.00 H+0 HETATM 94 H UNK 0 -7.069 4.055 0.498 0.00 0.00 H+0 HETATM 95 H UNK 0 -9.050 4.835 1.698 0.00 0.00 H+0 HETATM 96 H UNK 0 -8.828 6.069 3.756 0.00 0.00 H+0 HETATM 97 H UNK 0 -6.625 6.551 4.668 0.00 0.00 H+0 HETATM 98 H UNK 0 -4.603 5.769 3.475 0.00 0.00 H+0 HETATM 99 H UNK 0 -5.580 1.038 3.299 0.00 0.00 H+0 HETATM 100 H UNK 0 -6.829 1.909 2.288 0.00 0.00 H+0 HETATM 101 H UNK 0 -5.686 2.788 3.343 0.00 0.00 H+0 HETATM 102 H UNK 0 -3.659 0.179 -0.896 0.00 0.00 H+0 HETATM 103 H UNK 0 -4.423 1.487 -2.654 0.00 0.00 H+0 HETATM 104 H UNK 0 -4.377 2.756 -1.439 0.00 0.00 H+0 HETATM 105 H UNK 0 -6.896 2.267 -1.015 0.00 0.00 H+0 HETATM 106 H UNK 0 -6.524 2.492 -2.752 0.00 0.00 H+0 HETATM 107 H UNK 0 -6.388 0.270 -3.213 0.00 0.00 H+0 HETATM 108 H UNK 0 -7.654 0.123 -1.967 0.00 0.00 H+0 HETATM 109 H UNK 0 -3.793 -2.183 -1.429 0.00 0.00 H+0 HETATM 110 H UNK 0 -4.153 -4.505 -1.810 0.00 0.00 H+0 HETATM 111 H UNK 0 -6.146 -2.778 -3.212 0.00 0.00 H+0 HETATM 112 H UNK 0 -4.338 -2.832 -3.615 0.00 0.00 H+0 HETATM 113 H UNK 0 -5.449 -4.306 -3.805 0.00 0.00 H+0 HETATM 114 H UNK 0 -5.964 -5.681 -1.340 0.00 0.00 H+0 HETATM 115 H UNK 0 -7.008 -4.603 -2.249 0.00 0.00 H+0 HETATM 116 H UNK 0 -6.705 -4.364 -0.452 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.858 -3.105 2.431 0.00 0.00 H+0 HETATM 118 H UNK 0 -6.161 -2.809 1.303 0.00 0.00 H+0 HETATM 119 H UNK 0 -5.395 -4.492 1.504 0.00 0.00 H+0 HETATM 120 H UNK 0 -1.620 -3.305 -0.783 0.00 0.00 H+0 HETATM 121 H UNK 0 -0.668 -5.508 -0.351 0.00 0.00 H+0 HETATM 122 H UNK 0 -2.321 -5.541 -0.928 0.00 0.00 H+0 HETATM 123 H UNK 0 -4.086 -6.192 0.645 0.00 0.00 H+0 HETATM 124 H UNK 0 -4.618 -7.594 2.594 0.00 0.00 H+0 HETATM 125 H UNK 0 -2.855 -8.347 4.175 0.00 0.00 H+0 HETATM 126 H UNK 0 -0.530 -7.663 3.797 0.00 0.00 H+0 HETATM 127 H UNK 0 0.010 -6.260 1.876 0.00 0.00 H+0 HETATM 128 H UNK 0 1.268 -3.795 -1.090 0.00 0.00 H+0 HETATM 129 H UNK 0 3.223 -5.010 0.353 0.00 0.00 H+0 HETATM 130 H UNK 0 1.958 -4.957 1.613 0.00 0.00 H+0 HETATM 131 H UNK 0 1.662 -5.792 0.058 0.00 0.00 H+0 HETATM 132 H UNK 0 2.568 -1.680 -0.274 0.00 0.00 H+0 HETATM 133 H UNK 0 4.641 -3.617 0.797 0.00 0.00 H+0 HETATM 134 H UNK 0 3.240 -3.421 1.843 0.00 0.00 H+0 HETATM 135 H UNK 0 4.215 -1.990 1.386 0.00 0.00 H+0 HETATM 136 H UNK 0 3.601 -4.278 -1.487 0.00 0.00 H+0 HETATM 137 H UNK 0 4.983 -0.442 -2.350 0.00 0.00 H+0 HETATM 138 H UNK 0 5.967 -1.806 -4.149 0.00 0.00 H+0 HETATM 139 H UNK 0 8.374 -1.374 -2.353 0.00 0.00 H+0 HETATM 140 H UNK 0 7.325 0.061 -2.624 0.00 0.00 H+0 HETATM 141 H UNK 0 8.075 -0.820 -4.058 0.00 0.00 H+0 HETATM 142 H UNK 0 6.096 -3.943 -2.655 0.00 0.00 H+0 HETATM 143 H UNK 0 7.375 -3.615 -3.858 0.00 0.00 H+0 HETATM 144 H UNK 0 7.747 -3.284 -2.153 0.00 0.00 H+0 HETATM 145 H UNK 0 6.264 -2.534 -0.562 0.00 0.00 H+0 HETATM 146 H UNK 0 4.527 0.538 -0.669 0.00 0.00 H+0 HETATM 147 H UNK 0 4.074 0.394 1.583 0.00 0.00 H+0 HETATM 148 H UNK 0 4.152 2.083 1.099 0.00 0.00 H+0 HETATM 149 H UNK 0 5.694 -0.647 3.132 0.00 0.00 H+0 HETATM 150 H UNK 0 7.153 -0.162 5.043 0.00 0.00 H+0 HETATM 151 H UNK 0 7.986 2.053 5.496 0.00 0.00 H+0 HETATM 152 H UNK 0 7.372 3.880 4.012 0.00 0.00 H+0 HETATM 153 H UNK 0 5.933 3.523 2.075 0.00 0.00 H+0 HETATM 154 H UNK 0 7.338 3.308 0.154 0.00 0.00 H+0 HETATM 155 H UNK 0 7.806 1.566 0.592 0.00 0.00 H+0 HETATM 156 H UNK 0 8.197 2.252 -0.977 0.00 0.00 H+0 HETATM 157 H UNK 0 4.470 3.831 -2.994 0.00 0.00 H+0 HETATM 158 H UNK 0 3.113 1.123 -2.483 0.00 0.00 H+0 HETATM 159 H UNK 0 3.785 1.799 -4.063 0.00 0.00 H+0 CONECT 1 2 81 82 83 CONECT 2 1 3 84 85 CONECT 3 2 4 79 86 CONECT 4 3 5 87 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 11 88 CONECT 8 7 9 89 90 CONECT 9 8 10 CONECT 10 9 11 12 CONECT 11 10 7 CONECT 12 10 13 20 91 CONECT 13 12 14 92 93 CONECT 14 13 15 19 CONECT 15 14 16 94 CONECT 16 15 17 95 CONECT 17 16 18 96 CONECT 18 17 19 97 CONECT 19 18 14 98 CONECT 20 12 21 22 CONECT 21 20 99 100 101 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 28 102 CONECT 25 24 26 103 104 CONECT 26 25 27 105 106 CONECT 27 26 28 107 108 CONECT 28 27 29 24 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 35 109 CONECT 32 31 33 34 110 CONECT 33 32 111 112 113 CONECT 34 32 114 115 116 CONECT 35 31 36 37 CONECT 36 35 117 118 119 CONECT 37 35 38 39 CONECT 38 37 CONECT 39 37 40 47 120 CONECT 40 39 41 121 122 CONECT 41 40 42 46 CONECT 42 41 43 123 CONECT 43 42 44 124 CONECT 44 43 45 125 CONECT 45 44 46 126 CONECT 46 45 41 127 CONECT 47 39 48 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 51 52 128 CONECT 51 50 129 130 131 CONECT 52 50 53 54 132 CONECT 53 52 133 134 135 CONECT 54 52 55 136 CONECT 55 54 56 57 CONECT 56 55 CONECT 57 55 58 61 137 CONECT 58 57 59 60 138 CONECT 59 58 139 140 141 CONECT 60 58 142 143 144 CONECT 61 57 62 145 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 72 146 CONECT 65 64 66 147 148 CONECT 66 65 67 71 CONECT 67 66 68 149 CONECT 68 67 69 150 CONECT 69 68 70 151 CONECT 70 69 71 152 CONECT 71 70 66 153 CONECT 72 64 73 74 CONECT 73 72 154 155 156 CONECT 74 72 75 76 CONECT 75 74 CONECT 76 74 77 80 157 CONECT 77 76 78 158 159 CONECT 78 77 79 CONECT 79 78 80 3 CONECT 80 79 76 CONECT 81 1 CONECT 82 1 CONECT 83 1 CONECT 84 2 CONECT 85 2 CONECT 86 3 CONECT 87 4 CONECT 88 7 CONECT 89 8 CONECT 90 8 CONECT 91 12 CONECT 92 13 CONECT 93 13 CONECT 94 15 CONECT 95 16 CONECT 96 17 CONECT 97 18 CONECT 98 19 CONECT 99 21 CONECT 100 21 CONECT 101 21 CONECT 102 24 CONECT 103 25 CONECT 104 25 CONECT 105 26 CONECT 106 26 CONECT 107 27 CONECT 108 27 CONECT 109 31 CONECT 110 32 CONECT 111 33 CONECT 112 33 CONECT 113 33 CONECT 114 34 CONECT 115 34 CONECT 116 34 CONECT 117 36 CONECT 118 36 CONECT 119 36 CONECT 120 39 CONECT 121 40 CONECT 122 40 CONECT 123 42 CONECT 124 43 CONECT 125 44 CONECT 126 45 CONECT 127 46 CONECT 128 50 CONECT 129 51 CONECT 130 51 CONECT 131 51 CONECT 132 52 CONECT 133 53 CONECT 134 53 CONECT 135 53 CONECT 136 54 CONECT 137 57 CONECT 138 58 CONECT 139 59 CONECT 140 59 CONECT 141 59 CONECT 142 60 CONECT 143 60 CONECT 144 60 CONECT 145 61 CONECT 146 64 CONECT 147 65 CONECT 148 65 CONECT 149 67 CONECT 150 68 CONECT 151 69 CONECT 152 70 CONECT 153 71 CONECT 154 73 CONECT 155 73 CONECT 156 73 CONECT 157 76 CONECT 158 77 CONECT 159 77 MASTER 0 0 0 0 0 0 0 0 159 0 330 0 END SMILES for NP0010220 (Grassypeptolide F)[H]N1C(=O)[C@@]2([H])N=C(SC2([H])[H])[C@]([H])(N(C(=O)[C@@]2([H])N(C(=O)[C@@]([H])(N(C(=O)[C@@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N(C(=O)[C@]3([H])N=C(SC3([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H] INCHI for NP0010220 (Grassypeptolide F)InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44-,45+,46-,47-,48+,49+,50+/m1/s1 3D Structure for NP0010220 (Grassypeptolide F) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C60H79N9O9S2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1134.4700 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1133.54422 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R,5R,9R,12S,18S,21S,24R,25R,28S,31R,34S)-9,21,31-tribenzyl-2-ethyl-10,19,24,25,32-pentamethyl-18,28-bis(propan-2-yl)-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonaazatetracyclo[32.2.1.1^{5,8}.0^{12,16}]octatriaconta-1(37),8(38)-dien-4,11,17,20,23,27,30,33-octone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R,5R,9R,12S,18S,21S,24R,25R,28S,31R,34S)-9,21,31-tribenzyl-2-ethyl-18,28-diisopropyl-10,19,24,25,32-pentamethyl-22-oxa-7,36-dithia-3,10,16,19,26,29,32,37,38-nonaazatetracyclo[32.2.1.1^{5,8}.0^{12,16}]octatriaconta-1(37),8(38)-dien-4,11,17,20,23,27,30,33-octone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@H]1NC(=O)[C@@H]2CSC(=N2)[C@@H](CC2=CC=CC=C2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CC2=CC=CC=C2)N(C)C(=O)C2CSC1=N2)C(C)C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44?,45+,46-,47-,48+,49+,50+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | OMAHHNNQYKBGML-XCCIRJLLSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
