2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-[3,4-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-[3,4-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)amino]-3-(3,4-dihydroxyphenyl)propanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)amino]-3-(3,4-dihydroxyphenyl)propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)C(CS)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)C(CS)N)O)O

InChI

InChI=1S/C12H16N2O5S/c13-7(5-20)11(17)14-8(12(18)19)3-6-1-2-9(15)10(16)4-6/h1-2,4,7-8,15-16,20H,3,5,13H2,(H,14,17)(H,18,19)