2-azanyl-3-[3-(2-azanyl-3-sulfanyl-propanoyl)-4,5-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-3-sulfanyl-propanoyl)-4,5-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-3-sulfanyl-propanoyl)-4,5-dihydroxy-phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-amino-3-mercapto-1-oxopropyl)-4,5-dihydroxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-3-sulfanylpropanoyl)-4,5-dihydroxyphenyl]propanoic acid Traditional Name: 2-amino-3-[3-(2-amino-3-mercapto-propanoyl)-4,5-dihydroxy-phenyl]propionic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1O)O)C(=O)C(CS)N)CC(C(=O)O)N

Isomeric SMILES

C1=C(C=C(C(=C1O)O)C(=O)C(CS)N)CC(C(=O)O)N

InChI

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