(3R)-3-[[3-methyl-5-(phenoxymethyl)furan-2-yl]carbonylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[[3-methyl-5-(phenoxymethyl)furan-2-yl]carbonylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]amino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[[3-methyl-5-(phenoxymethyl)-2-furanyl]-oxomethyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]amino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[[3-methyl-5-(phenoxymethyl)-2-furoyl]amino]-4-(trimethylammonio)butyrate Formula: C20H26N2O5 MolecularWeight: 374.43084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC2=CC=CC=C2)C(=O)NC(CC(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CC1=C(OC(=C1)COC2=CC=CC=C2)C(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C20H26N2O5/c1-14-10-17(13-26-16-8-6-5-7-9-16)27-19(14)20(25)21-15(11-18(23)24)12-22(2,3)4/h5-10,15H,11-13H2,1-4H3,(H-,21,23,24,25)/t15-/m1/s1