methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-3-[(3S)-3-oxidanyl-3-phenyl-propyl]sulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-3-[(3S)-3-oxidanyl-3-phenyl-propyl]sulfanyl-butanoate Openeye Name: methyl (2S)-3-[(3S)-3-hydroxy-3-phenyl-propyl]sulfanyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-3-[[(3S)-3-hydroxy-3-phenylpropyl]thio]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-3-[(3S)-3-hydroxy-3-phenylpropyl]sulfanyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-3-[[(3S)-3-hydroxy-3-phenyl-propyl]thio]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C22H29NO6S2 MolecularWeight: 467.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OC)SCCC(C2=CC=CC=C2)O

Isomeric SMILES

CC(C)([C@H](C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)OC)SCC[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C22H29NO6S2/c1-22(2,30-15-14-19(24)16-8-6-5-7-9-16)20(21(25)29-4)23-31(26,27)18-12-10-17(28-3)11-13-18/h5-13,19-20,23-24H,14-15H2,1-4H3/t19-,20-/m0/s1