S-phenyl 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanethioate

Systemtic Name: S-phenyl 3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanethioate Openeye Name: S-phenyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanethioate CAS Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]propanethioic acid S-phenyl ester IUPAC Name: S-phenyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanethioate Traditional Name: 3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanethioic acid S-phenyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)SC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(CO)[C@H](C(=O)NCCC(=O)SC1=CC=CC=C1)O

InChI

InChI=1S/C15H21NO4S/c1-15(2,10-17)13(19)14(20)16-9-8-12(18)21-11-6-4-3-5-7-11/h3-7,13,17,19H,8-10H2,1-2H3,(H,16,20)/t13-/m0/s1