methyl 6-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-oxidanylidene-5-sulfanyl-hexanoate

Systemtic Name: methyl 6-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-6-oxidanylidene-5-sulfanyl-hexanoate Openeye Name: methyl 6-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-6-oxo-5-sulfanyl-hexanoate CAS Name: 5-mercapto-6-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-6-oxo-5-sulfanylhexanoate Traditional Name: 6-[[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-6-keto-5-mercapto-hexanoic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCC(=O)OC)S

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCC(=O)OC)S

InChI

InChI=1S/C17H24N2O4S/c1-18-16(21)13(11-12-7-4-3-5-8-12)19-17(22)14(24)9-6-10-15(20)23-2/h3-5,7-8,13-14,24H,6,9-11H2,1-2H3,(H,18,21)(H,19,22)