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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N5O4S/c1-5-7-13-21-29-16-22(30(21)4)32(23(33)14-8-6-2)26(36)27(28,37)15-18(3)17-31-24(34)19-11-9-10-12-20(19)25(31)35/h9-12,16,18,37H,5-8,13-15,17,28H2,1-4H3