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

Systemtic Name: 2-azanyl-4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N-(2-sulfanylpropanoyl)pentanamide Openeye Name: 2-amino-N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-N-(2-sulfanylpropanoyl)pentanamide CAS Name: 2-amino-N-(2-mercapto-1-oxopropyl)-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-(2-sulfanylpropanoyl)pentanamide Traditional Name: 2-amino-N-[1-benzyl-2-keto-2-(methylamino)ethyl]-N-(2-mercaptopropanoyl)-4-methyl-valeramide Formula: C19H29N3O3S MolecularWeight: 379.51686

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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)C(C)S)N

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-12(2)10-15(20)19(25)22(18(24)13(3)26)16(17(23)21-4)11-14-8-6-5-7-9-14/h5-9,12-13,15-16,26H,10-11,20H2,1-4H3,(H,21,23)