Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(c(F)c(cc1F)F)Nc2cc(c3n(n2)c(cn3)C(NCC(C)(O)CO)=O)NC)F |
InChI | InChI | 1.03 | InChI=1S/C18H18F4N6O3/c1-18(31,7-29)6-25-17(30)11-5-24-16-10(23-2)4-12(27-28(11)16)26-15-13(21)8(19)3-9(20)14(15)22/h3-5,23,29,31H,6-7H2,1-2H3,(H,25,30)(H,26,27)/t18-/m1/s1 |
InChIKey | InChI | 1.03 | HNSFAKGAIZARCR-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNc1cc(Nc2c(F)c(F)cc(F)c2F)nn3c(cnc13)C(=O)NC[C@@](C)(O)CO |
SMILES | CACTVS | 3.385 | CNc1cc(Nc2c(F)c(F)cc(F)c2F)nn3c(cnc13)C(=O)NC[C](C)(O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@](CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(CNC(=O)c1cnc2n1nc(cc2NC)Nc3c(c(cc(c3F)F)F)F)(CO)O |