sodium 2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]-3-phenyl-propanoate

Systemtic Name: sodium 2-[2,3,4,5,6-pentakis(oxidanyl)hexanoylamino]-3-phenyl-propanoate Openeye Name: sodium 2-(2,3,4,5,6-pentahydroxyhexanoylamino)-3-phenyl-propanoate CAS Name: sodium 2-[(2,3,4,5,6-pentahydroxy-1-oxohexyl)amino]-3-phenylpropanoate IUPAC Name: sodium 2-(2,3,4,5,6-pentahydroxyhexanoylamino)-3-phenylpropanoate Traditional Name: sodium 2-(2,3,4,5,6-pentahydroxyhexanoylamino)-3-phenyl-propionate Formula: C15H20NNaO8 MolecularWeight: 365.31097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(C(C(C(CO)O)O)O)O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(C(C(C(CO)O)O)O)O.[Na+]

InChI

InChI=1S/C15H21NO8.Na/c17-7-10(18)11(19)12(20)13(21)14(22)16-9(15(23)24)6-8-4-2-1-3-5-8;/h1-5,9-13,17-21H,6-7H2,(H,16,22)(H,23,24);/q;+1/p-1