2-azanyl-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(3-methyl-2-sulfanyl-butanoyl)pentanamide

Systemtic Name: 2-azanyl-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(3-methyl-2-sulfanyl-butanoyl)pentanamide Openeye Name: 2-amino-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-N-(3-methyl-2-sulfanyl-butanoyl)pentanamide CAS Name: 2-amino-N-(2-mercapto-3-methyl-1-oxobutyl)-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(3-methyl-2-sulfanylbutanoyl)pentanamide Traditional Name: 2-amino-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-N-(2-mercapto-3-methyl-butanoyl)-4-methyl-valeramide Formula: C21H33N3O3S MolecularWeight: 407.57002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-13(2)11-16(22)20(26)24(21(27)18(28)14(3)4)17(19(25)23-5)12-15-9-7-6-8-10-15/h6-10,13-14,16-18,28H,11-12,22H2,1-5H3,(H,23,25)