Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(CSSC[C@H](N)C(O)=O)c(CN)c1O |
SMILES | CACTVS | 3.341 | Cc1ncc(CSSC[CH](N)C(O)=O)c(CN)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)CSSCC(C(=O)O)N)CN)O |
InChI | InChI | 1.03 | InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | GNMYVMXAEUCEOO-VIFPVBQESA-N |