2-(2-methylsulfonylethoxycarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(2-methylsulfonylethoxycarbonylamino)-3-phenyl-propanoic acid Openeye Name: 2-(2-methylsulfonylethoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: 2-[[2-methylsulfonylethoxy(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(2-methylsulfonylethoxycarbonylamino)-3-phenylpropanoic acid Traditional Name: 2-(2-mesylethoxycarbonylamino)-3-phenyl-propionic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCOC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

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