2-azanyl-3-phenyl-propanoic acid; 2,3,4,5,6-pentakis(oxidanyl)hexanal

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid; 2,3,4,5,6-pentakis(oxidanyl)hexanal Openeye Name: 2-amino-3-phenyl-propanoic acid; 2,3,4,5,6-pentahydroxyhexanal CAS Name: 2-amino-3-phenylpropanoic acid; 2,3,4,5,6-pentahydroxyhexanal IUPAC Name: 2-amino-3-phenylpropanoic acid; 2,3,4,5,6-pentahydroxyhexanal Traditional Name: 2-amino-3-phenyl-propionic acid; 2,3,4,5,6-pentahydroxyhexanal Formula: C21H35NO14 MolecularWeight: 525.5009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.2C6H12O6/c10-8(9(11)12)6-7-4-2-1-3-5-7;2*7-1-3(9)5(11)6(12)4(10)2-8/h1-5,8H,6,10H2,(H,11,12);2*1,3-6,8-12H,2H2