2-azanyl-3-sulfanyl-propanoic acid; 2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 2-[(2-azanyl-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoic acid Openeye Name: 2-amino-3-sulfanyl-propanoic acid; 2-[(2-amino-3-sulfanyl-propanoyl)oxyamino]-3-phenyl-propanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropoxy)amino]-3-phenylpropanoic acid; 2-amino-3-mercaptopropanoic acid IUPAC Name: 2-amino-3-sulfanylpropanoic acid; 2-[(2-amino-3-sulfanylpropanoyl)oxyamino]-3-phenylpropanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)oxyamino]-3-phenyl-propionic acid; 2-amino-3-mercapto-propionic acid Formula: C15H23N3O6S2 MolecularWeight: 405.48962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NOC(=O)C(CS)N.C(C(C(=O)O)N)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NOC(=O)C(CS)N.C(C(C(=O)O)N)S

InChI

InChI=1S/C12H16N2O4S.C3H7NO2S/c13-9(7-19)12(17)18-14-10(11(15)16)6-8-4-2-1-3-5-8;4-2(1-7)3(5)6/h1-5,9-10,14,19H,6-7,13H2,(H,15,16);2,7H,1,4H2,(H,5,6)