(3S)-3-(furan-2-ylmethylazaniumyl)-4-[(3R)-3-methyl-5-phenyl-pentoxy]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-[(3R)-3-methyl-5-phenyl-pentoxy]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-[(3R)-3-methyl-5-phenyl-pentoxy]-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-[(3R)-3-methyl-5-phenylpentoxy]-4-oxobutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-[(3R)-3-methyl-5-phenylpentoxy]-4-oxobutanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-keto-4-[(3R)-3-methyl-5-phenyl-pentoxy]butyrate Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)CCOC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)CCOC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C21H27NO5/c1-16(9-10-17-6-3-2-4-7-17)11-13-27-21(25)19(14-20(23)24)22-15-18-8-5-12-26-18/h2-8,12,16,19,22H,9-11,13-15H2,1H3,(H,23,24)/t16-,19+/m1/s1