AC1MHXMB

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

Also Known As: Salicylic acid, 4-(N(sup 2)-(1,3-dihydroxy-2-(p-nitrophenyl)-2-propyl)oxamido)-, D-threo-, (-)-|Benzoic acid, 2-hydroxy-4-((((2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)amino)oxoacetyl)amino)-, (R-(R*,R*))-|4-[[[ -1,3-dihydroxy-1- propan-2-yl]carbamoylformyl]amino]-2-hydroxy-benzoicacid|2-Hydroxy-4-{[(1R,2R)-2-hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)-ethylaminooxalyl]-amino}-benzoic acid|4-(2-{[(1R,2R)-1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoacetamido)-2-hydroxybenzoic acid|4-[[2-[[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]-2-oxoacetyl]amino]-2-hydroxybenzoic acid|Benzoic acid,2-hydroxy-4-[[[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]oxoacetyl]amino]-,[R-(R*,R*)]- (9CI)

Molecular Formula	C18H17N3O9
Molecular Weight	419.09647 g/mol
LogP	0.1478
Topological Polar Surface Area	199.33 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	419.09647
Monoisotopic Mass	419.09647
Heavy Atoms	30
Complexity	975.3675

Chemical Identifiers

CAS Number	76508-92-4
SMILES	C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(=O)NC2=CC(=C(C=C2)C(=O)O)O)O)[N+](=O)[O-]