2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-4-sulfanyl-butanoic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-4-sulfanyl-butanoic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-4-sulfanyl-butanoic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-4-mercaptobutanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-4-sulfanylbutanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2-amino-4-mercapto-butyric acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.C4H9NO2S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;5-3(1-2-8)4(6)7/h1-4,8,11H,5,10H2,(H,12,13);3,8H,1-2,5H2,(H,6,7)