methyl (5S)-6-azanyl-5-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: methyl (5S)-6-azanyl-5-[(4-methylphenyl)sulfanylmethyl]-5-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: methyl (5S)-6-amino-5-hydroxy-6-oxo-5-(p-tolylsulfanylmethyl)hexanoate CAS Name: (5S)-6-amino-5-hydroxy-5-[[(4-methylphenyl)thio]methyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl (5S)-6-amino-5-hydroxy-5-[(4-methylphenyl)sulfanylmethyl]-6-oxohexanoate Traditional Name: (5S)-6-amino-5-hydroxy-6-keto-5-[(p-tolylthio)methyl]hexanoic acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(CCCC(=O)OC)(C(=O)N)O

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@](CCCC(=O)OC)(C(=O)N)O

InChI

InChI=1S/C15H21NO4S/c1-11-5-7-12(8-6-11)21-10-15(19,14(16)18)9-3-4-13(17)20-2/h5-8,19H,3-4,9-10H2,1-2H3,(H2,16,18)/t15-/m1/s1