AC1MHXMZ

2-[[2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoacetyl]amino]benzoic acid

Also Known As: Anthranilic acid, N-((1,3-dihydroxy-1-(p-nitrophenyl)-2-propyl)oxamoyl)-, DL-threo-, (+-)-|DL-threo-(+)-N-((1,3-Dihydroxy-1-(p-nitrophenyl)-2-propyl)oxamoyl)anthranilic acid|Benzoic acid,2-[[2-[[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]-2-oxoacetyl]amino]-,rel-|Anthranilic acid, N-((1,3-dihydroxy-1-(p-nitrophenyl)-2-propyl)oxamoyl)-, L-threo-, (+)|2-(2-{[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoacetamido)benzoic acid|2-[[2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoacetyl]amino]benzoic acid

Molecular Formula	C18H17N3O8
Molecular Weight	403.10156 g/mol
LogP	0.4422
Topological Polar Surface Area	179.1 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	403.10156
Monoisotopic Mass	403.10156
Heavy Atoms	29
Complexity	928.9584

Chemical Identifiers

CAS Number	76549-60-5
SMILES	C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)N[C@H](CO)[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O