(2R)-2-azanyl-N-(5-azanylpentyl)-3-(4-nitrophenyl)-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-azanyl-N-(5-azanylpentyl)-3-(4-nitrophenyl)-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-amino-N-(5-aminopentyl)-N-benzyl-3-(4-nitrophenyl)propanamide CAS Name: (2R)-2-amino-N-(5-aminopentyl)-3-(4-nitrophenyl)-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-amino-N-(5-aminopentyl)-N-benzyl-3-(4-nitrophenyl)propanamide Traditional Name: (2R)-2-amino-N-(5-aminopentyl)-N-benzyl-3-(4-nitrophenyl)propionamide Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCCCN)C(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCCCN)C(=O)[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C21H28N4O3/c22-13-5-2-6-14-24(16-18-7-3-1-4-8-18)21(26)20(23)15-17-9-11-19(12-10-17)25(27)28/h1,3-4,7-12,20H,2,5-6,13-16,22-23H2/t20-/m1/s1