| Properties | Image |
|---|
| MNX_ID | MNXM39926 |
 |
| reference | chebi:60958 |
| formula | C37H67N11O9S |
| global charge | 0 |
| mol weight | 842.078 |
| InChIKey | VLECLZIAMQFNIU-QOJCPNLVSA-N |
| InChI | InChI=1S/C37H67N11O9S/c1-20(2)17-27(30(38)51)47-36(57)29(19-49)48-32(53)22(4)43-34(55)26(14-16-58-6)45-31(52)21(3)42-33(54)25(13-10-15-41-37(39)40)46-35(56)28(44-23(5)50)18-24-11-8-7-9-12-24/h20-22,24-29,49H,7-19H2,1-6H3,(H2,38,51)(H,42,54)(H,43,55)(H,44,50)(H,45,52)(H,46,56)(H,47,57)(H,48,53)(H4,39,40,41)/t21-,22-,25-,26-,27-,28-,29-/m0/s1 |
| SMILES | CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |
MNX internals
| InChI (mnx) | InChI=1/C37H67N11O9S/c1-20(2)17-27(30(38)51)47-36(57)29(19-49)48-32(53)22(4)43-34(55)26(14-16-58-6)45-31(52)21(3)42-33(54)25(13-10-15-41-37(39)40)46-35(56)28(44-23(5)50)18-24-11-8-7-9-12-24/h20-22,24-29,49H,7-19H2,1-6H3,(H2,38,51)(H,42,54)(H,43,55)(H,44,50)(H,45,52)(H,46,56)(H,47,57)(H,48,53)(H4,39,40,41)/t21-,22-,25-,26-,27-,28-,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:20]([CH3:2])[CH2:17][C@@H:27]([C:30](=[NH:38])[OH:51])[N:47]=[C:36]([C@H:29]([CH2:19][OH:49])[N:48]=[C:32]([C@H:22]([CH3:4])[N:43]=[C:34]([C@H:26]([CH2:14][CH2:16][S:58][CH3:6])[N:45]=[C:31]([C@H:21]([CH3:3])[N:42]=[C:33]([C@H:25]([CH2:13][CH2:10][CH2:15][NH:41][C:37](=[NH:39])[NH2:40])[N:46]=[C:35]([C@H:28]([CH2:18][CH:24]1[CH2:11][CH2:8][CH2:7][CH2:9][CH2:12]1)[N:44]=[C:23]([CH3:5])[OH:50])[OH:56])[OH:54])[OH:52])[OH:55])[OH:53])[OH:57] |
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