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

Systemtic Name: 3-[2-[3-benzamido-1-(3-methylbutanoyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[3-benzamido-1-(3-methylbutanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[3-benzamido-1-(3-methyl-1-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[3-benzamido-1-(3-methylbutanoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-(3-benzamido-1-isovaleryl-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl)acetyl]amino]-4-keto-butyric acid Formula: C27H30N4O7 MolecularWeight: 522.5497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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(C)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/C27H30N4O7/c1-17(2)12-24(34)30-14-20(29-26(37)18-8-4-3-5-9-18)27(38)31(22-11-7-6-10-21(22)30)15-23(33)28-19(16-32)13-25(35)36/h3-11,16-17,19-20H,12-15H2,1-2H3,(H,28,33)(H,29,37)(H,35,36)