| Properties | Image |
|---|
| MNX_ID | MNXM108761 |
 |
| reference | chebi:66457 |
| formula | C51H69N7O7 |
| global charge | 0 |
| mol weight | 892.155 |
| InChIKey | BZXAVUYDKXXNPV-DKTNFYNISA-N |
| InChI | InChI=1S/C51H69N7O7/c1-32(2)27-39-48(63)58-26-25-34(5)43(58)49(64)57(9)41(28-33(3)4)46(61)55-51(6,7)50(65)54-40(30-36-21-15-11-16-22-36)47(62)56(8)42(31-37-23-17-12-18-24-37)45(60)52-38(44(59)53-39)29-35-19-13-10-14-20-35/h10-24,32-34,38-43H,25-31H2,1-9H3,(H,52,60)(H,53,59)(H,54,65)(H,55,61)/t34-,38-,39-,40-,41-,42-,43-/m0/s1 |
| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2[C@@H](C)CCN2C1=O |
MNX internals
| InChI (mnx) | InChI=1/C51H69N7O7/c1-32(2)27-39-48(63)58-26-25-34(5)43(58)49(64)57(9)41(28-33(3)4)46(61)55-51(6,7)50(65)54-40(30-36-21-15-11-16-22-36)47(62)56(8)42(31-37-23-17-12-18-24-37)45(60)52-38(44(59)53-39)29-35-19-13-10-14-20-35/h10-24,32-34,38-43H,25-31H2,1-9H3,(H,52,60)(H,53,59)(H,54,65)(H,55,61)/t34-,38-,39-,40-,41-,42-,43-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:32]([CH3:2])[CH2:27][C@H:39]1[C:48](=[O:63])[N:58]2[CH2:26][CH2:25][C@H:34]([CH3:5])[C@H:43]2[C:49](=[O:64])[N:57]([CH3:9])[C@@H:41]([CH2:28][CH:33]([CH3:3])[CH3:4])[C:46]([OH:61])=[N:55][C:51]([CH3:6])([CH3:7])[C:50]([OH:65])=[N:54][C@@H:40]([CH2:30][C:36]2=[CH:21][CH:15]=[CH:11][CH:16]=[CH:22]2)[C:47](=[O:62])[N:56]([CH3:8])[C@@H:42]([CH2:31][C:37]2=[CH:23][CH:17]=[CH:12][CH:18]=[CH:24]2)[C:45]([OH:60])=[N:52][C@@H:38]([CH2:29][C:35]2=[CH:19][CH:13]=[CH:10][CH:14]=[CH:20]2)[C:44]([OH:59])=[N:53]1 |
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