Molecular Weight (g/mol)

445.2

Molecular Formula

C15H15Cl2N2NaO8

InChI

InChI=1S/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1/t10-,13-;/m1./s1

InChIKey

RPLOPBHEZLFENN-HTMVYDOJSA-M

SMILES

C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)O)[N+](=O)[O-].[Na+]

IUPAC Name

sodium;4-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate

Exact Mass (Da)

444.0103151

Monoisotopic Mass (Da)

444.0103151