Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1)CC(CNC(=O)NC(C)Cc1ccsc1)N(C)C |
InChI | InChI | 1.03 | InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1 |
InChIKey | InChI | 1.03 | MEDBIJOVZJEMBI-YOEHRIQHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](Cc1cscc1)NC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C |
SMILES | CACTVS | 3.385 | C[CH](Cc1cscc1)NC(=O)NC[CH](Cc2ccc(O)cc2)N(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc2ccc(cc2)O)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1ccsc1)NC(=O)NCC(Cc2ccc(cc2)O)N(C)C |