2-[4-oxidanylidene-1-(phenylmethyl)-2-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-1-(phenylmethyl)-2-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[1-benzyl-4-oxo-2-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid CAS Name: 2-[4-oxo-2-[(1-oxo-3-phenylpropyl)amino]-1-(phenylmethyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid IUPAC Name: 2-[1-benzyl-4-oxo-2-(3-phenylpropanoylamino)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid Traditional Name: 2-[1-benzyl-2-(hydrocinnamoylamino)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2N(C1=O)CC(=O)O)CC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C(N(C2=CC=CC=C2N(C1=O)CC(=O)O)CC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c31-25(16-15-20-9-3-1-4-10-20)28-24-17-26(32)30(19-27(33)34)23-14-8-7-13-22(23)29(24)18-21-11-5-2-6-12-21/h1-14,24H,15-19H2,(H,28,31)(H,33,34)