| Properties | Image |
|---|
| MNX_ID | MNXM528147 |
 |
| reference | chebi:99204 |
| formula | C30H35N3O5S2 |
| global charge | 0 |
| mol weight | 581.76 |
| InChIKey | XFTZCOPLMXQWPM-GNMOFYLKSA-N |
| InChI | InChI=1S/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21-,27+/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=CSC=C1)C1=CC=CC=C1N2C |
MNX internals
| InChI (mnx) | InChI=1/C30H35N3O5S2/c1-20-15-33(21(2)17-34)30(35)29-28(25-11-7-8-12-26(25)32(29)4)24-10-6-5-9-22(24)18-38-27(20)16-31(3)40(36,37)23-13-14-39-19-23/h5-14,19-21,27,34H,15-18H2,1-4H3/t20-,21-,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:20]1[CH2:15][N:33]([C@H:21]([CH3:2])[CH2:17][OH:34])[C:30](=[O:35])[C:29]2=[C:28]([C:24]3=[CH:10][CH:6]=[CH:5][CH:9]=[C:22]3[CH2:18][O:38][C@H:27]1[CH2:16][N:31]([CH3:3])[S:40]([C:23]1=[CH:19][S:39][CH:14]=[CH:13]1)(=[O:36])=[O:37])[C:25]1=[CH:11][CH:7]=[CH:8][CH:12]=[C:26]1[N:32]2[CH3:4] |
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