(3R)-3-[7-(4-phenylphenyl)heptylcarbamoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[7-(4-phenylphenyl)heptylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[7-(4-phenylphenyl)heptylcarbamoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[oxo-[7-(4-phenylphenyl)heptylamino]methyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[7-(4-phenylphenyl)heptylcarbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[7-(4-phenylphenyl)heptylcarbamoylamino]-4-(trimethylammonio)butyrate Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)NCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)NCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H39N3O3/c1-30(2,3)21-25(20-26(31)32)29-27(33)28-19-11-6-4-5-8-12-22-15-17-24(18-16-22)23-13-9-7-10-14-23/h7,9-10,13-18,25H,4-6,8,11-12,19-21H2,1-3H3,(H2-,28,29,31,32,33)/t25-/m1/s1