(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxidanylidene-5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoic acid

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxidanylidene-5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoic acid Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxo-5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-2-[(5S)-2-oxo-5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxo-5-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-keto-5-phenyl-1-[4-(trifluoromethyl)benzyl]-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Formula: C31H27F3N4O4 MolecularWeight: 576.56569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC(C(=O)O)C2(C3=CC=CC=C3N(C(=O)CN2)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)O[C@H](C(=O)O)[C@@]2(C3=CC=CC=C3N(C(=O)CN2)CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5)C

InChI

InChI=1S/C31H27F3N4O4/c1-19-16-20(2)37-29(36-19)42-27(28(40)41)30(22-8-4-3-5-9-22)24-10-6-7-11-25(24)38(26(39)17-35-30)18-21-12-14-23(15-13-21)31(32,33)34/h3-16,27,35H,17-18H2,1-2H3,(H,40,41)/t27-,30+/m1/s1