(2R,3S)-4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: (2R,3S)-4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2R,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-4-(4-methylsulfonylphenyl)butanoic acid CAS Name: (2R,3S)-2-hydroxy-4-(4-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: (2R,3S)-2-hydroxy-4-(4-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2R,3S)-3-(benzyloxycarbonylamino)-2-hydroxy-4-(4-mesylphenyl)butyric acid Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C[C@@H]([C@H](C(=O)O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO7S/c1-28(25,26)15-9-7-13(8-10-15)11-16(17(21)18(22)23)20-19(24)27-12-14-5-3-2-4-6-14/h2-10,16-17,21H,11-12H2,1H3,(H,20,24)(H,22,23)/t16-,17+/m0/s1