(2S,3S)-3-oxidanyl-2-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]butanoic acid

Systemtic Name: (2S,3S)-3-oxidanyl-2-[[(2S)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]butanoic acid Openeye Name: (2S,3S)-3-hydroxy-2-[[(2S)-2-phenyl-2-phenylsulfanyl-acetyl]amino]butanoic acid CAS Name: (2S,3S)-3-hydroxy-2-[[(2S)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]butanoic acid IUPAC Name: (2S,3S)-3-hydroxy-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]butanoic acid Traditional Name: (2S,3S)-3-hydroxy-2-[[(2S)-2-phenyl-2-(phenylthio)acetyl]amino]butyric acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C(C1=CC=CC=C1)SC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](C1=CC=CC=C1)SC2=CC=CC=C2)O

InChI

InChI=1S/C18H19NO4S/c1-12(20)15(18(22)23)19-17(21)16(13-8-4-2-5-9-13)24-14-10-6-3-7-11-14/h2-12,15-16,20H,1H3,(H,19,21)(H,22,23)/t12-,15-,16-/m0/s1