| Properties | Image |
|---|
| MNX_ID | MNXM106275 |
 |
| reference | chebi:66590 |
| formula | C34H37N5O6 |
| global charge | 0 |
| mol weight | 611.699 |
| InChIKey | CWNYOXLYNGDTSL-DZUOILHNSA-N |
| InChI | InChI=1S/C34H37N5O6/c40-25-15-13-24(14-16-25)20-28-34(45)39-17-7-12-29(39)33(44)37-26(18-22-8-3-1-4-9-22)31(42)35-21-30(41)36-27(32(43)38-28)19-23-10-5-2-6-11-23/h1-6,8-11,13-16,26-29,40H,7,12,17-21H2,(H,35,42)(H,36,41)(H,37,44)(H,38,43)/t26-,27-,28-,29-/m0/s1 |
| SMILES | O=C1CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C34H37N5O6/c40-25-15-13-24(14-16-25)20-28-34(45)39-17-7-12-29(39)33(44)37-26(18-22-8-3-1-4-9-22)31(42)35-21-30(41)36-27(32(43)38-28)19-23-10-5-2-6-11-23/h1-6,8-11,13-16,26-29,40H,7,12,17-21H2,(H,35,42)(H,36,41)(H,37,44)(H,38,43)/t26-,27-,28-,29-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][CH:8]=[C:22]([CH2:18][C@H:26]2[C:31]([OH:42])=[N:35][CH2:21][C:30]([OH:41])=[N:36][C@@H:27]([CH2:19][C:23]3=[CH:10][CH:5]=[CH:2][CH:6]=[CH:11]3)[C:32]([OH:43])=[N:38][C@@H:28]([CH2:20][C:24]3=[CH:14][CH:16]=[C:25]([OH:40])[CH:15]=[CH:13]3)[C:34](=[O:45])[N:39]3[CH2:17][CH2:7][CH2:12][C@H:29]3[C:33]([OH:44])=[N:37]2)[CH:9]=[CH:4]1 |
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