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

Systemtic Name: 4-methyl-N-[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-(2-sulfanylethanoylamino)pentanamide Openeye Name: N-[1-benzyl-2-(methylamino)-2-oxo-ethyl]-4-methyl-2-[(2-sulfanylacetyl)amino]pentanamide CAS Name: 2-[(2-mercapto-1-oxoethyl)amino]-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide IUPAC Name: 4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[(2-sulfanylacetyl)amino]pentanamide Traditional Name: N-[1-benzyl-2-keto-2-(methylamino)ethyl]-2-[(2-mercaptoacetyl)amino]-4-methyl-valeramide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)