AC1MHXM8
2-[[2-[[(1S,2S)-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)-, L-threo-, (+)|L-threo-(+)-N-((1,3-Dihydroxy-1-(p-nitrophenyl)-2-propyl)oxamoyl)anthranilic acid|2-[[2-[[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoacetyl]amino]benzoic acid|2-(2-{[(1S,2S)-1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoacetamido)benzoic acid|Benzoic acid,2-[[[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]oxoacetyl]amino]-,[S-(R*,R*)]- (9CI)
| 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 | 76508-91-3 |
|---|---|
| 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 |
Product Overview
AC1MHXM8 (CAS 76508-91-3), with molecular formula C18H17N3O8 and molecular weight 403.10156 g/mol. IUPAC: 2-[[2-[[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoacetyl]amino]benzoic acid.