2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-N-(2-butyl-3-methyl-imidazol-4-yl)-4-methyl-2-sulfanyl-pentanamide

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-N-(2-butyl-3-methyl-imidazol-4-yl)-4-methyl-2-sulfanyl-pentanamide Openeye Name: N-(2-butyl-3-methyl-imidazol-4-yl)-2-[5-(1,3-dioxoisoindolin-2-yl)pentanoylamino]-4-methyl-2-sulfanyl-pentanamide CAS Name: N-(2-butyl-3-methyl-4-imidazolyl)-2-[[5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-2-mercapto-4-methylpentanamide IUPAC Name: N-(2-butyl-3-methylimidazol-4-yl)-2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-4-methyl-2-sulfanylpentanamide Traditional Name: N-(2-butyl-3-methyl-imidazol-4-yl)-2-mercapto-4-methyl-2-(5-phthalimidopentanoylamino)valeramide Formula: C27H37N5O4S MolecularWeight: 527.67878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C)NC(=O)C(CC(C)C)(NC(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

CCCCC1=NC=C(N1C)NC(=O)C(CC(C)C)(NC(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)S

InChI

InChI=1S/C27H37N5O4S/c1-5-6-13-21-28-17-22(31(21)4)29-26(36)27(37,16-18(2)3)30-23(33)14-9-10-15-32-24(34)19-11-7-8-12-20(19)25(32)35/h7-8,11-12,17-18,37H,5-6,9-10,13-16H2,1-4H3,(H,29,36)(H,30,33)