2-[5-(2-fluorophenyl)-2-oxidanylidene-3-(1-phenylethylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-fluorophenyl)-2-oxidanylidene-3-(1-phenylethylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(2-fluorophenyl)-2-oxo-3-(1-phenylethylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(2-fluorophenyl)-2-oxo-3-[[oxo-(1-phenylethylamino)methyl]amino]-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(2-fluorophenyl)-2-oxo-3-(1-phenylethylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(2-fluorophenyl)-2-keto-3-(1-phenylethylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H23FN4O4 MolecularWeight: 474.483623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)CC(=O)O

InChI

InChI=1S/C26H23FN4O4/c1-16(17-9-3-2-4-10-17)28-26(35)30-24-25(34)31(15-22(32)33)21-14-8-6-12-19(21)23(29-24)18-11-5-7-13-20(18)27/h2-14,16,24H,15H2,1H3,(H,32,33)(H2,28,30,35)