2-[(2-azanyl-4-methyl-pentanoyl)-phenyl-amino]-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-methyl-4-oxidanylidene-2-sulfanyl-heptanamide

Systemtic Name: 2-[(2-azanyl-4-methyl-pentanoyl)-phenyl-amino]-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-methyl-4-oxidanylidene-2-sulfanyl-heptanamide Openeye Name: 2-(N-(2-amino-4-methyl-pentanoyl)anilino)-7-(1,3-dioxoisoindolin-2-yl)-N-methyl-4-oxo-2-sulfanyl-heptanamide CAS Name: 2-(N-(2-amino-4-methyl-1-oxopentyl)anilino)-7-(1,3-dioxo-2-isoindolyl)-2-mercapto-N-methyl-4-oxoheptanamide IUPAC Name: 2-(N-(2-amino-4-methylpentanoyl)anilino)-7-(1,3-dioxoisoindol-2-yl)-N-methyl-4-oxo-2-sulfanylheptanamide Traditional Name: 2-(N-(2-amino-4-methyl-pentanoyl)anilino)-4-keto-2-mercapto-N-methyl-7-phthalimido-enanthamide Formula: C28H34N4O5S MolecularWeight: 538.65836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O5S/c1-18(2)16-23(29)26(36)32(19-10-5-4-6-11-19)28(38,27(37)30-3)17-20(33)12-9-15-31-24(34)21-13-7-8-14-22(21)25(31)35/h4-8,10-11,13-14,18,23,38H,9,12,15-17,29H2,1-3H3,(H,30,37)