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

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-3-sulfanyl-propanoic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-3-sulfanyl-propanoic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-3-mercaptopropanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-3-sulfanylpropanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2-amino-3-mercapto-propionic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.C3H7NO2S/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;4-2(1-7)3(5)6/h1-4,8,11H,5,10H2,(H,12,13);2,7H,1,4H2,(H,5,6)