2-[2-[(4-benzamido-3-methyl-butanoyl)-(1,3-dihydroisoindol-2-yl)amino]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[2-[(4-benzamido-3-methyl-butanoyl)-(1,3-dihydroisoindol-2-yl)amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 2-[[2-[(4-benzamido-3-methyl-butanoyl)-isoindolin-2-yl-amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 2-[[2-[(4-benzamido-3-methyl-1-oxobutyl)-(1,3-dihydroisoindol-2-yl)amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 2-[[2-[(4-benzamido-3-methylbutanoyl)-(1,3-dihydroisoindol-2-yl)amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 2-[[2-[(4-benzamido-3-methyl-butanoyl)-isoindolin-2-yl-amino]acetyl]amino]-4-keto-butyric acid Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N(CC(=O)NC(CC=O)C(=O)O)N1CC2=CC=CC=C2C1)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(=O)N(CC(=O)NC(CC=O)C(=O)O)N1CC2=CC=CC=C2C1)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H30N4O6/c1-18(14-27-25(34)19-7-3-2-4-8-19)13-24(33)30(17-23(32)28-22(11-12-31)26(35)36)29-15-20-9-5-6-10-21(20)16-29/h2-10,12,18,22H,11,13-17H2,1H3,(H,27,34)(H,28,32)(H,35,36)