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

Systemtic Name: 3-[2-[3-benzamido-4-oxidanylidene-1-(3-oxidanylidenebutanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[3-benzamido-4-oxo-1-(3-oxobutanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[3-benzamido-1-(1,3-dioxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[3-benzamido-4-oxo-1-(3-oxobutanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-(1-acetoacetyl-3-benzamido-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl)acetyl]amino]-4-keto-butyric acid Formula: C26H26N4O8 MolecularWeight: 522.50664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O8/c1-16(32)11-23(34)29-13-19(28-25(37)17-7-3-2-4-8-17)26(38)30(21-10-6-5-9-20(21)29)14-22(33)27-18(15-31)12-24(35)36/h2-10,15,18-19H,11-14H2,1H3,(H,27,33)(H,28,37)(H,35,36)