| Properties | Image |
|---|
| MNX_ID | MNXM529407 |
 |
| reference | chebi:119212 |
| formula | C32H36ClN3O5S |
| global charge | 0 |
| mol weight | 610.176 |
| InChIKey | VJARKWPJXPJMID-BXOOBUKZSA-N |
| InChI | InChI=1S/C32H36ClN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-11-7-8-12-28(27)35(31)4)26-10-6-5-9-23(26)20-41-29(21)18-34(3)42(39,40)25-15-13-24(33)14-16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m1/s1 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1)C1=CC=CC=C1N2C |
MNX internals
| InChI (mnx) | InChI=1/C32H36ClN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-11-7-8-12-28(27)35(31)4)26-10-6-5-9-23(26)20-41-29(21)18-34(3)42(39,40)25-15-13-24(33)14-16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21]1[CH2:17][N:36]([C@@H:22]([CH3:2])[CH2:19][OH:37])[C:32](=[O:38])[C:31]2=[C:30]([C:26]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:23]3[CH2:20][O:41][C@H:29]1[CH2:18][N:34]([CH3:3])[S:42]([C:25]1=[CH:16][CH:14]=[C:24]([Cl:33])[CH:13]=[CH:15]1)(=[O:39])=[O:40])[C:27]1=[CH:11][CH:7]=[CH:8][CH:12]=[C:28]1[N:35]2[CH3:4] |
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