2-(methoxycarbonylamino)-3-(phenylmethyl)sulfonyl-propanoic acid

Systemtic Name: 2-(methoxycarbonylamino)-3-(phenylmethyl)sulfonyl-propanoic acid Openeye Name: 3-benzylsulfonyl-2-(methoxycarbonylamino)propanoic acid CAS Name: 2-(methoxycarbonylamino)-3-(phenylmethyl)sulfonylpropanoic acid IUPAC Name: 3-benzylsulfonyl-2-(methoxycarbonylamino)propanoic acid Traditional Name: 3-benzylsulfonyl-2-(carbomethoxyamino)propionic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-19-12(16)13-10(11(14)15)8-20(17,18)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,14,15)