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

Systemtic Name: 2-[3-azanyl-4-oxidanylidene-1-(3-phenylpropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-amino-4-oxo-1-(3-phenylpropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid CAS Name: 2-[3-amino-4-oxo-1-(1-oxo-3-phenylpropyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid IUPAC Name: 2-[3-amino-4-oxo-1-(3-phenylpropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid Traditional Name: 2-(3-amino-1-hydrocinnamoyl-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C2=CC=CC=C2N1C(=O)CCC3=CC=CC=C3)CC(=O)O)N

Isomeric SMILES

C1C(C(=O)N(C2=CC=CC=C2N1C(=O)CCC3=CC=CC=C3)CC(=O)O)N

InChI

InChI=1S/C20H21N3O4/c21-15-12-22(18(24)11-10-14-6-2-1-3-7-14)16-8-4-5-9-17(16)23(20(15)27)13-19(25)26/h1-9,15H,10-13,21H2,(H,25,26)