2-methyl-3-(phenylmethoxycarbonylaminomethylsulfonyl)propanoic acid

Systemtic Name: 2-methyl-3-(phenylmethoxycarbonylaminomethylsulfonyl)propanoic acid Openeye Name: 3-(benzyloxycarbonylaminomethylsulfonyl)-2-methyl-propanoic acid CAS Name: 2-methyl-3-(phenylmethoxycarbonylaminomethylsulfonyl)propanoic acid IUPAC Name: 2-methyl-3-(phenylmethoxycarbonylaminomethylsulfonyl)propanoic acid Traditional Name: 3-(benzyloxycarbonylaminomethylsulfonyl)-2-methyl-propionic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)CNC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CS(=O)(=O)CNC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-10(12(15)16)8-21(18,19)9-14-13(17)20-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)(H,15,16)