4-[(1R)-1-[carboxymethyl-[[5-[(3-fluoranyl-4-methyl-phenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methyl-benzoic acid

Systemtic Name: 4-[(1R)-1-[carboxymethyl-[[5-[(3-fluoranyl-4-methyl-phenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methyl-benzoic acid Openeye Name: 4-[(1R)-1-[carboxymethyl-[[5-[(3-fluoro-4-methyl-phenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methyl-benzoic acid CAS Name: 4-[(1R)-1-[carboxymethyl-[[5-[[(3-fluoro-4-methylphenyl)methylamino]-oxomethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methylbenzoic acid IUPAC Name: 4-[(1R)-1-[carboxymethyl-[[5-[(3-fluoro-4-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methylbenzoic acid Traditional Name: 4-[(1R)-1-[carboxymethyl-[[5-[(3-fluoro-4-methyl-benzyl)carbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methyl-benzoic acid Formula: C27H27FN6O5 MolecularWeight: 534.538883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=NC3=NC=NN3C(=C2)CN(CC(=O)O)C(C)C4=CC(=C(C=C4)C(=O)O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=NC3=NC=NN3C(=C2)CN(CC(=O)O)[C@H](C)C4=CC(=C(C=C4)C(=O)O)C)F

InChI

InChI=1S/C27H27FN6O5/c1-15-4-5-18(9-22(15)28)11-29-25(37)23-10-20(34-27(32-23)30-14-31-34)12-33(13-24(35)36)17(3)19-6-7-21(26(38)39)16(2)8-19/h4-10,14,17H,11-13H2,1-3H3,(H,29,37)(H,35,36)(H,38,39)/t17-/m1/s1