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

Systemtic Name: 2-azanyl-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(3-phenylpropanoyl)-2-sulfanyl-pentanamide Openeye Name: 2-amino-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-N-(3-phenylpropanoyl)-2-sulfanyl-pentanamide CAS Name: 2-amino-2-mercapto-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(1-oxo-3-phenylpropyl)pentanamide IUPAC Name: 2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-N-(3-phenylpropanoyl)-2-sulfanylpentanamide Traditional Name: 2-amino-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-N-hydrocinnamoyl-2-mercapto-4-methyl-valeramide Formula: C25H33N3O3S MolecularWeight: 455.61282

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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)CCC2=CC=CC=C2)(N)S

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC1=CC=CC=C1)C(=O)NC)C(=O)CCC2=CC=CC=C2)(N)S

InChI

InChI=1S/C25H33N3O3S/c1-18(2)17-25(26,32)24(31)28(22(29)15-14-19-10-6-4-7-11-19)21(23(30)27-3)16-20-12-8-5-9-13-20/h4-13,18,21,32H,14-17,26H2,1-3H3,(H,27,30)