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

Systemtic Name: 3-[2-[3-benzamido-4-oxidanylidene-1-(2-oxidanylidenepropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[3-benzamido-4-oxo-1-(2-oxopropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[3-benzamido-1-(1,2-dioxopropyl)-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-(2-oxopropanoyl)-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-(3-benzamido-4-keto-1-pyruvoyl-2,3-dihydro-1,5-benzodiazepin-5-yl)acetyl]amino]-4-keto-butyric acid Formula: C25H24N4O8 MolecularWeight: 508.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=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)C(=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/C25H24N4O8/c1-15(31)24(36)28-12-18(27-23(35)16-7-3-2-4-8-16)25(37)29(20-10-6-5-9-19(20)28)13-21(32)26-17(14-30)11-22(33)34/h2-10,14,17-18H,11-13H2,1H3,(H,26,32)(H,27,35)(H,33,34)