4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[oxidanyl(2-sulfanylethanoyl)amino]pentanamide

Systemtic Name: 4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-[oxidanyl(2-sulfanylethanoyl)amino]pentanamide Openeye Name: N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-[hydroxy-(2-sulfanylacetyl)amino]-4-methyl-pentanamide CAS Name: 2-[hydroxy-(2-mercapto-1-oxoethyl)amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 2-[hydroxy-(2-sulfanylacetyl)amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide Traditional Name: N-[1-benzyl-2-keto-2-(methylamino)ethyl]-2-[hydroxy-(2-mercaptoacetyl)amino]-4-methyl-valeramide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-12(2)9-15(21(25)16(22)11-26)18(24)20-14(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25-26H,9-11H2,1-3H3,(H,19,23)(H,20,24)