2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-3-sulfanyl-propanoic acid; (3-methyloxiran-2-yl)phosphonic acid

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-3-sulfanyl-propanoic acid; (3-methyloxiran-2-yl)phosphonic acid Openeye Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-sulfanyl-propanoic acid; (3-methyloxiran-2-yl)phosphonic acid CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-mercaptopropanoic acid; (3-methyl-2-oxiranyl)phosphonic acid IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-3-sulfanylpropanoic acid; (3-methyloxiran-2-yl)phosphonic acid Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid; 2-amino-3-mercapto-propionic acid; (3-methyloxiran-2-yl)phosphonic acid Formula: C12H23N4O8PS MolecularWeight: 414.371781

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(O1)P(=O)(O)O.C1=C(NC=N1)CC(C(=O)O)N.C(C(C(=O)O)N)S

Isomeric SMILES

CC1C(O1)P(=O)(O)O.C1=C(NC=N1)CC(C(=O)O)N.C(C(C(=O)O)N)S

InChI

InChI=1S/C6H9N3O2.C3H7NO2S.C3H7O4P/c7-5(6(10)11)1-4-2-8-3-9-4;4-2(1-7)3(5)6;1-2-3(7-2)8(4,5)6/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2,7H,1,4H2,(H,5,6);2-3H,1H3,(H2,4,5,6)