(2R)-2-azaniumyl-3-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoate Openeye Name: (2R)-2-azaniumyl-3-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-ammonio-3-[(4-methoxycarbonylphenyl)methylthio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[(4-methoxycarbonylphenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-ammonio-3-[(4-carbomethoxybenzyl)thio]propionate Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H15NO4S/c1-17-12(16)9-4-2-8(3-5-9)6-18-7-10(13)11(14)15/h2-5,10H,6-7,13H2,1H3,(H,14,15)/t10-/m0/s1