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

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoyl-sulfanyl-amino]-N-(2-butyl-3-methyl-imidazol-4-yl)-4-methyl-pentanamide Openeye Name: N-(2-butyl-3-methyl-imidazol-4-yl)-2-[5-(1,3-dioxoisoindolin-2-yl)pentanoyl-sulfanyl-amino]-4-methyl-pentanamide CAS Name: N-(2-butyl-3-methyl-4-imidazolyl)-2-[[5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]-mercaptoamino]-4-methylpentanamide IUPAC Name: N-(2-butyl-3-methylimidazol-4-yl)-2-[5-(1,3-dioxoisoindol-2-yl)pentanoyl-sulfanylamino]-4-methylpentanamide Traditional Name: N-(2-butyl-3-methyl-imidazol-4-yl)-2-[mercapto(5-phthalimidopentanoyl)amino]-4-methyl-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)N(C(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

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

InChI

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