| Properties | Image |
|---|
| MNX_ID | MNXM529602 |
 |
| reference | chebi:119407 |
| formula | C34H40N4O5 |
| global charge | 0 |
| mol weight | 584.717 |
| InChIKey | VWHOEYJBVKWJDQ-JWUQWVJQSA-N |
| InChI | InChI=1S/C34H40N4O5/c1-22-18-38(23(2)20-39)33(40)32-31(28-12-8-9-13-29(28)37(32)4)27-11-7-6-10-24(27)21-43-30(22)19-36(3)34(41)35-25-14-16-26(42-5)17-15-25/h6-17,22-23,30,39H,18-21H2,1-5H3,(H,35,41)/t22-,23-,30+/m1/s1 |
| SMILES | COC1=CC=C(NC(=O)N(C)C[C@@H]2OCC3=CC=CC=C3C3=C(C(=O)N([C@H](C)CO)C[C@H]2C)N(C)C2=CC=CC=C23)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C34H40N4O5/c1-22-18-38(23(2)20-39)33(40)32-31(28-12-8-9-13-29(28)37(32)4)27-11-7-6-10-24(27)21-43-30(22)19-36(3)34(41)35-25-14-16-26(42-5)17-15-25/h6-17,22-23,30,39H,18-21H2,1-5H3,(H,35,41)/t22-,23-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:22]1[CH2:18][N:38]([C@H:23]([CH3:2])[CH2:20][OH:39])[C:33](=[O:40])[C:32]2=[C:31]([C:27]3=[CH:11][CH:7]=[CH:6][CH:10]=[C:24]3[CH2:21][O:43][C@H:30]1[CH2:19][N:36]([CH3:3])[C:34]([NH:35][C:25]1=[CH:15][CH:17]=[C:26]([O:42][CH3:5])[CH:16]=[CH:14]1)=[O:41])[C:28]1=[CH:12][CH:8]=[CH:9][CH:13]=[C:29]1[N:37]2[CH3:4] |
|