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

Systemtic Name: 2-[3-benzamido-4-oxidanylidene-1-(3-oxidanylidenebutanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-benzamido-4-oxo-1-(3-oxobutanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid CAS Name: 2-[3-benzamido-1-(1,3-dioxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid IUPAC Name: 2-[3-benzamido-4-oxo-1-(3-oxobutanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid Traditional Name: 2-(1-acetoacetyl-3-benzamido-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl)acetic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CC(=O)N1CC(C(=O)N(C2=CC=CC=C21)CC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O6/c1-14(26)11-19(27)24-12-16(23-21(30)15-7-3-2-4-8-15)22(31)25(13-20(28)29)18-10-6-5-9-17(18)24/h2-10,16H,11-13H2,1H3,(H,23,30)(H,28,29)