(3R)-3-(7-phenylheptanoylamino)-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-(7-phenylheptanoylamino)-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-(7-phenylheptanoylamino)-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[(1-oxo-7-phenylheptyl)amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-(7-phenylheptanoylamino)-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-(7-phenylheptanoylamino)-4-(trimethylammonio)butyrate Formula: C20H32N2O3 MolecularWeight: 348.47968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)CCCCCCC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)CCCCCCC1=CC=CC=C1

InChI

InChI=1S/C20H32N2O3/c1-22(2,3)16-18(15-20(24)25)21-19(23)14-10-5-4-7-11-17-12-8-6-9-13-17/h6,8-9,12-13,18H,4-5,7,10-11,14-16H2,1-3H3,(H-,21,23,24,25)/t18-/m1/s1