2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-pentanoyl]amino]-4-methyl-N-phenethyl-pentanamide

Systemtic Name: 2-[[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-sulfanyl-pentanoyl]amino]-4-methyl-N-phenethyl-pentanamide Openeye Name: 2-[[5-(1,3-dioxoisoindolin-2-yl)-2-sulfanyl-pentanoyl]amino]-4-methyl-N-phenethyl-pentanamide CAS Name: 2-[[5-(1,3-dioxo-2-isoindolyl)-2-mercapto-1-oxopentyl]amino]-4-methyl-N-phenethylpentanamide IUPAC Name: 2-[[5-(1,3-dioxoisoindol-2-yl)-2-sulfanylpentanoyl]amino]-4-methyl-N-phenethylpentanamide Traditional Name: 2-[(2-mercapto-5-phthalimido-pentanoyl)amino]-4-methyl-N-phenethyl-valeramide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CCCN2C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

CC(C)CC(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CCCN2C(=O)C3=CC=CC=C3C2=O)S

InChI

InChI=1S/C27H33N3O4S/c1-18(2)17-22(24(31)28-15-14-19-9-4-3-5-10-19)29-25(32)23(35)13-8-16-30-26(33)20-11-6-7-12-21(20)27(30)34/h3-7,9-12,18,22-23,35H,8,13-17H2,1-2H3,(H,28,31)(H,29,32)