Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC(CN)c1nc(CO)c(CO)s1)c1ccc([NH]1)c1cc(F)c(Cl)c(F)c1 |
InChI | InChI | 1.06 | InChI=1S/C18H17ClF2N4O3S/c19-16-9(20)3-8(4-10(16)21)11-1-2-12(23-11)17(28)24-13(5-22)18-25-14(6-26)15(7-27)29-18/h1-4,13,23,26-27H,5-7,22H2,(H,24,28)/t13-/m0/s1 |
InChIKey | InChI | 1.06 | WFPSRMKUJDKZKQ-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](NC(=O)c1[nH]c(cc1)c2cc(F)c(Cl)c(F)c2)c3sc(CO)c(CO)n3 |
SMILES | CACTVS | 3.385 | NC[CH](NC(=O)c1[nH]c(cc1)c2cc(F)c(Cl)c(F)c2)c3sc(CO)c(CO)n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1c2cc(c(c(c2)F)Cl)F)C(=O)N[C@@H](CN)c3nc(c(s3)CO)CO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc([nH]c1c2cc(c(c(c2)F)Cl)F)C(=O)NC(CN)c3nc(c(s3)CO)CO |