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

Systemtic Name: 2-azanyl-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(4-phenylbutanoyl)-2-sulfanyl-pentanamide Openeye Name: 2-amino-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-N-(4-phenylbutanoyl)-2-sulfanyl-pentanamide CAS Name: 2-amino-2-mercapto-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(1-oxo-4-phenylbutyl)pentanamide IUPAC Name: 2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(4-phenylbutanoyl)-2-sulfanylpentanamide Traditional Name: 2-amino-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-2-mercapto-4-methyl-N-(4-phenylbutanoyl)valeramide Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)CCCC2=CC=CC=C2)(N)S

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)CCCC2=CC=CC=C2)(N)S

InChI

InChI=1S/C26H35N3O3S/c1-19(2)18-26(27,33)25(32)29(23(30)16-10-15-20-11-6-4-7-12-20)22(24(31)28-3)17-21-13-8-5-9-14-21/h4-9,11-14,19,22,33H,10,15-18,27H2,1-3H3,(H,28,31)