(2R)-2-(hexanoylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: (2R)-2-(hexanoylamino)-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: (2R)-2-(hexanoylamino)-3-(4-hydroxy-3-nitro-phenyl)propanoic acid CAS Name: (2R)-3-(4-hydroxy-3-nitrophenyl)-2-(1-oxohexylamino)propanoic acid IUPAC Name: (2R)-2-(hexanoylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid Traditional Name: (2R)-2-(caproylamino)-3-(4-hydroxy-3-nitro-phenyl)propionic acid Formula: C15H20N2O6 MolecularWeight: 324.3291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCC(=O)N[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H20N2O6/c1-2-3-4-5-14(19)16-11(15(20)21)8-10-6-7-13(18)12(9-10)17(22)23/h6-7,9,11,18H,2-5,8H2,1H3,(H,16,19)(H,20,21)/t11-/m1/s1