| Properties | Image |
|---|
| MNX_ID | MNXM819709 |
 |
| reference | sabiorkM:30290 |
| formula | C32H61N13O9 |
| global charge | 0 |
| mol weight | 771.922 |
| InChIKey | WIGDGIGALMYEBW-LLINQDLYSA-N |
| InChI | InChI=1S/C32H61N13O9/c1-16(2)12-19(33)26(50)42-21(9-7-11-39-32(36)37)29(53)43-20(8-6-10-38-31(34)35)28(52)41-18(5)25(49)45-23(15-46)30(54)44-22(13-17(3)4)27(51)40-14-24(47)48/h16-23,46H,6-15,33H2,1-5H3,(H,40,51)(H,41,52)(H,42,50)(H,43,53)(H,44,54)(H,45,49)(H,47,48)(H4,34,35,38)(H4,36,37,39)/t18-,19-,20-,21-,22-,23-/m0/s1 |
| SMILES | CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(C)C)C(O)=NCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C32H61N13O9/c1-16(2)12-19(33)26(50)42-21(9-7-11-39-32(36)37)29(53)43-20(8-6-10-38-31(34)35)28(52)41-18(5)25(49)45-23(15-46)30(54)44-22(13-17(3)4)27(51)40-14-24(47)48/h16-23,46H,6-15,33H2,1-5H3,(H,40,51)(H,41,52)(H,42,50)(H,43,53)(H,44,54)(H,45,49)(H,47,48)(H4,34,35,38)(H4,36,37,39)/t18-,19-,20-,21-,22-,23-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[CH2:12][C@@H:19]([C:26](=[N:42][C@@H:21]([CH2:9][CH2:7][CH2:11][NH:39][C:32](=[NH:36])[NH2:37])[C:29](=[N:43][C@@H:20]([CH2:8][CH2:6][CH2:10][NH:38][C:31](=[NH:34])[NH2:35])[C:28](=[N:41][C@@H:18]([CH3:5])[C:25](=[N:45][C@@H:23]([CH2:15][OH:46])[C:30](=[N:44][C@@H:22]([CH2:13][CH:17]([CH3:3])[CH3:4])[C:27](=[N:40][CH2:14][C:24](=[O:47])[OH:48])[OH:51])[OH:54])[OH:49])[OH:52])[OH:53])[OH:50])[NH2:33] |
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