2-[(2-aminophenyl)methylamino]-3-(carboxymethylsulfanyl)propanoic acid

Systemtic Name: 2-[(2-aminophenyl)methylamino]-3-(carboxymethylsulfanyl)propanoic acid Openeye Name: 2-[(2-aminophenyl)methylamino]-3-(carboxymethylsulfanyl)propanoic acid CAS Name: 2-[(2-aminophenyl)methylamino]-3-(carboxymethylthio)propanoic acid IUPAC Name: 2-[(2-aminophenyl)methylamino]-3-(carboxymethylsulfanyl)propanoic acid Traditional Name: 2-[(2-aminobenzyl)amino]-3-(carboxymethylthio)propionic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c13-9-4-2-1-3-8(9)5-14-10(12(17)18)6-19-7-11(15)16/h1-4,10,14H,5-7,13H2,(H,15,16)(H,17,18)