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

Systemtic Name: (2S)-2-(4,6-diethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxidanylidene-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]ethanoic acid Openeye Name: (2S)-2-(4,6-diethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid CAS Name: (2S)-2-[(4,6-diethyl-2-pyrimidinyl)oxy]-2-[(5S)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid IUPAC Name: (2S)-2-(4,6-diethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Traditional Name: (2S)-2-(4,6-diethylpyrimidin-2-yl)oxy-2-[(5S)-1-(3,5-dimethoxybenzyl)-2-keto-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid Formula: C34H36N4O6 MolecularWeight: 596.67284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)OC(C(=O)O)C2(C3=CC=CC=C3N(C(=O)CN2)CC4=CC(=CC(=C4)OC)OC)C5=CC=CC=C5)CC

Isomeric SMILES

CCC1=CC(=NC(=N1)O[C@H](C(=O)O)[C@@]2(C3=CC=CC=C3N(C(=O)CN2)CC4=CC(=CC(=C4)OC)OC)C5=CC=CC=C5)CC

InChI

InChI=1S/C34H36N4O6/c1-5-24-18-25(6-2)37-33(36-24)44-31(32(40)41)34(23-12-8-7-9-13-23)28-14-10-11-15-29(28)38(30(39)20-35-34)21-22-16-26(42-3)19-27(17-22)43-4/h7-19,31,35H,5-6,20-21H2,1-4H3,(H,40,41)/t31-,34+/m1/s1