2-[(5-acetamido-2-sulfanyl-pentanoyl)amino]-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide

Systemtic Name: 2-[(5-acetamido-2-sulfanyl-pentanoyl)amino]-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]pentanamide Openeye Name: 2-[(5-acetamido-2-sulfanyl-pentanoyl)amino]-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-pentanamide CAS Name: 2-[(5-acetamido-2-mercapto-1-oxopentyl)amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-[(5-acetamido-2-sulfanylpentanoyl)amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: 2-[(5-acetamido-2-mercapto-pentanoyl)amino]-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-4-methyl-valeramide Formula: C23H36N4O4S MolecularWeight: 464.62134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCNC(=O)C)S

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC)NC(=O)C(CCCNC(=O)C)S

InChI

InChI=1S/C23H36N4O4S/c1-15(2)13-18(27-23(31)20(32)11-8-12-25-16(3)28)22(30)26-19(21(29)24-4)14-17-9-6-5-7-10-17/h5-7,9-10,15,18-20,32H,8,11-14H2,1-4H3,(H,24,29)(H,25,28)(H,26,30)(H,27,31)