| Properties | Image |
|---|
| MNX_ID | MNXM528516 |
 |
| reference | chebi:101352 |
| formula | C33H39N3O6S |
| global charge | 0 |
| mol weight | 605.757 |
| InChIKey | VHDWJFVGOVHSLC-SBZVUBOMSA-N |
| InChI | InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29+/m0/s1 |
| SMILES | COC1=CC=CC=C1S(=O)(=O)N(C)C[C@H]1OCC2=CC=CC=C2C2=C(C(=O)N([C@@H](C)CO)C[C@@H]1C)N(C)C1=CC=CC=C12 |
MNX internals
| InChI (mnx) | InChI=1/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]1[CH2:18][N:36]([C@@H:23]([CH3:2])[CH2:20][OH:37])[C:33](=[O:38])[C:32]2=[C:31]([C:25]3=[CH:13][CH:7]=[CH:6][CH:12]=[C:24]3[CH2:21][O:42][C@@H:29]1[CH2:19][N:34]([CH3:3])[S:43]([C:30]1=[CH:17][CH:11]=[CH:10][CH:16]=[C:28]1[O:41][CH3:5])(=[O:39])=[O:40])[C:26]1=[CH:14][CH:8]=[CH:9][CH:15]=[C:27]1[N:35]2[CH3:4] |
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