methyl (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylcarbonyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylcarbonyl-pentanoate Openeye Name: methyl (2R,3S)-3-methylsulfanylcarbonyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-[(methylthio)-oxomethyl]pentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(4-methylphenyl)sulfonylamino]-3-methylsulfanylcarbonylpentanoate Traditional Name: (2R,3S)-3-(methylthio)carbonyl-2-(tosylamino)valeric acid methyl ester Formula: C15H21NO5S2 MolecularWeight: 359.46094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C)C(=O)SC

Isomeric SMILES

CC[C@@H]([C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)C)C(=O)SC

InChI

InChI=1S/C15H21NO5S2/c1-5-12(15(18)22-4)13(14(17)21-3)16-23(19,20)11-8-6-10(2)7-9-11/h6-9,12-13,16H,5H2,1-4H3/t12-,13+/m0/s1