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

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(4-fluorophenyl)methyl]-2-oxidanylidene-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoic acid Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(4-fluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-2-[(5S)-1-[(4-fluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(4-fluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-1-(4-fluorobenzyl)-2-keto-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Formula: C30H27FN4O4 MolecularWeight: 526.558183

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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)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)F)C5=CC=CC=C5)C

InChI

InChI=1S/C30H27FN4O4/c1-19-16-20(2)34-29(33-19)39-27(28(37)38)30(22-8-4-3-5-9-22)24-10-6-7-11-25(24)35(26(36)17-32-30)18-21-12-14-23(31)15-13-21/h3-16,27,32H,17-18H2,1-2H3,(H,37,38)/t27-,30+/m1/s1