(3R)-3-(2-chloranyl-5-nitro-phenyl)-3-(4-phenylbutanoylamino)propanoic acid

Systemtic Name: (3R)-3-(2-chloranyl-5-nitro-phenyl)-3-(4-phenylbutanoylamino)propanoic acid Openeye Name: (3R)-3-(2-chloro-5-nitro-phenyl)-3-(4-phenylbutanoylamino)propanoic acid CAS Name: (3R)-3-(2-chloro-5-nitrophenyl)-3-[(1-oxo-4-phenylbutyl)amino]propanoic acid IUPAC Name: (3R)-3-(2-chloro-5-nitrophenyl)-3-(4-phenylbutanoylamino)propanoic acid Traditional Name: (3R)-3-(2-chloro-5-nitro-phenyl)-3-(4-phenylbutanoylamino)propionic acid Formula: C19H19ClN2O5 MolecularWeight: 390.81756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC(CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)N[C@H](CC(=O)O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN2O5/c20-16-10-9-14(22(26)27)11-15(16)17(12-19(24)25)21-18(23)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,17H,4,7-8,12H2,(H,21,23)(H,24,25)/t17-/m1/s1