(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-5-(3-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-[(5S)-5-(3-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-[(5S)-5-(3-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-[(5S)-5-(3-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-[(5S)-5-(3-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-[(5S)-5-(3-fluorophenyl)-2-keto-1-p-anisyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Formula: C31H29FN4O5 MolecularWeight: 556.584163

Click to see the large picture

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=C5)F)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=C5)F)C

InChI

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