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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C)N(C(=O)CCCCS)C(=O)C(CC(C)CN2C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CCCCC1=NC=C(N1C)N(C(=O)CCCCS)C(=O)C(CC(C)CN2C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C27H37N5O4S/c1-4-5-12-22-29-16-23(30(22)3)32(24(33)13-8-9-14-37)27(36)21(28)15-18(2)17-31-25(34)19-10-6-7-11-20(19)26(31)35/h6-7,10-11,16,18,21,37H,4-5,8-9,12-15,17,28H2,1-3H3