| Properties | Image |
|---|
| MNX_ID | MNXM44655 |
 |
| reference | chebi:2967 |
| formula | C32H38N6O7S |
| global charge | 0 |
| mol weight | 650.758 |
| InChIKey | KXUDUVUGZWJNHV-QEXRHJMMSA-N |
| InChI | InChI=1S/C32H38N6O7S/c1-17(2)13-21-28(41)34-22(14-18-16-33-20-8-4-3-7-19(18)20)29(42)36-23(15-26(39)40)32(45)38-11-5-9-24(38)30(43)37-27(31(44)35-21)25-10-6-12-46-25/h3-4,6-8,10,12,16-17,21-24,27,33H,5,9,11,13-15H2,1-2H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t21-,22+,23+,24-,27+/m0/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@@H](C2=CC=CS2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C32H38N6O7S/c1-17(2)13-21-28(41)34-22(14-18-16-33-20-8-4-3-7-19(18)20)29(42)36-23(15-26(39)40)32(45)38-11-5-9-24(38)30(43)37-27(31(44)35-21)25-10-6-12-46-25/h3-4,6-8,10,12,16-17,21-24,27,33H,5,9,11,13-15H2,1-2H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t21-,22+,23+,24-,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH2:13][C@H:21]1[C:28]([OH:41])=[N:34][C@H:22]([CH2:14][C:18]2=[CH:16][NH:33][C:20]3=[CH:8][CH:4]=[CH:3][CH:7]=[C:19]23)[C:29]([OH:42])=[N:36][C@H:23]([CH2:15][C:26](=[O:39])[OH:40])[C:32](=[O:45])[N:38]2[CH2:11][CH2:5][CH2:9][C@H:24]2[C:30]([OH:43])=[N:37][C@H:27]([C:25]2=[CH:10][CH:6]=[CH:12][S:46]2)[C:31]([OH:44])=[N:35]1 |
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