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

Systemtic Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[(3S)-3-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[(3S)-3-[(2-fluorophenyl)carbamoylamino]-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C24H19FN4O4 MolecularWeight: 446.430463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)O)NC(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)C2=N[C@@H](C(=O)N(C3=CC=CC=C32)CC(=O)O)NC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C24H19FN4O4/c25-17-11-5-6-12-18(17)26-24(33)28-22-23(32)29(14-20(30)31)19-13-7-4-10-16(19)21(27-22)15-8-2-1-3-9-15/h1-13,22H,14H2,(H,30,31)(H2,26,28,33)/t22-/m1/s1