2-azanyl-3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3-methoxycarbonylphenyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3-methoxycarbonylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3-carbomethoxybenzyl)thio]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSCC(C(=O)O)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSCC(C(=O)O)N

InChI

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