2-(methoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(methoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-(methoxycarbonylamino)propanoic acid CAS Name: 2-(methoxycarbonylamino)-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-(methoxycarbonylamino)propanoic acid Traditional Name: 3-(benzylthio)-2-(carbomethoxyamino)propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

COC(=O)NC(CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H15NO4S/c1-17-12(16)13-10(11(14)15)8-18-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,14,15)