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

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxidanylidene-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoic acid Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-2-[(5S)-2-oxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-oxo-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-2-keto-1-(2,3,4,5,6-pentafluorobenzyl)-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Formula: C30H23F5N4O4 MolecularWeight: 598.520036

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

InChI

InChI=1S/C30H23F5N4O4/c1-15-12-16(2)38-29(37-15)43-27(28(41)42)30(17-8-4-3-5-9-17)19-10-6-7-11-20(19)39(21(40)13-36-30)14-18-22(31)24(33)26(35)25(34)23(18)32/h3-12,27,36H,13-14H2,1-2H3,(H,41,42)/t27-,30+/m1/s1