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

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5R)-5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoic acid Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5R)-5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-2-[(5R)-5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5R)-5-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5R)-5-(2-fluorophenyl)-2-keto-1-p-anisyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Formula: C31H29FN4O5 MolecularWeight: 556.584163

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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)OC)C5=CC=CC=C5F)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)OC)C5=CC=CC=C5F)C

InChI

InChI=1S/C31H29FN4O5/c1-19-16-20(2)35-30(34-19)41-28(29(38)39)31(23-8-4-6-10-25(23)32)24-9-5-7-11-26(24)36(27(37)17-33-31)18-21-12-14-22(40-3)15-13-21/h4-16,28,33H,17-18H2,1-3H3,(H,38,39)/t28-,31+/m1/s1