(3R)-3-[8-[(4-phenylphenyl)methoxy]octanoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[8-[(4-phenylphenyl)methoxy]octanoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[8-[(4-phenylphenyl)methoxy]octanoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[1-oxo-8-[(4-phenylphenyl)methoxy]octyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[8-[(4-phenylphenyl)methoxy]octanoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[8-(4-phenylbenzyl)oxyoctanoylamino]-4-(trimethylammonio)butyrate Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)CCCCCCCOCC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)CCCCCCCOCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C28H40N2O4/c1-30(2,3)21-26(20-28(32)33)29-27(31)14-10-5-4-6-11-19-34-22-23-15-17-25(18-16-23)24-12-8-7-9-13-24/h7-9,12-13,15-18,26H,4-6,10-11,14,19-22H2,1-3H3,(H-,29,31,32,33)/t26-/m1/s1