(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxidanylidene-5-(3-phenylphenyl)-1-[[2,4,6-tris(fluoranyl)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-(3-phenylphenyl)-1-[[2,4,6-tris(fluoranyl)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-(3-phenylphenyl)-1-[(2,4,6-trifluorophenyl)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-(3-phenylphenyl)-1-[(2,4,6-trifluorophenyl)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-(3-phenylphenyl)-1-[(2,4,6-trifluorophenyl)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-(3-phenylphenyl)-1-(2,4,6-trifluorobenzyl)-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Formula: C36H29F3N4O4 MolecularWeight: 638.63507

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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=C(C=C(C=C4F)F)F)C5=CC=CC(=C5)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=NC(=N1)O[C@H](C(=O)O)[C@@]2(C3=CC=CC=C3N(C(=O)CN2)CC4=C(C=C(C=C4F)F)F)C5=CC=CC(=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C36H29F3N4O4/c1-21-15-22(2)42-35(41-21)47-33(34(45)46)36(25-12-8-11-24(16-25)23-9-4-3-5-10-23)28-13-6-7-14-31(28)43(32(44)19-40-36)20-27-29(38)17-26(37)18-30(27)39/h3-18,33,40H,19-20H2,1-2H3,(H,45,46)/t33-,36+/m1/s1