(2R)-2-[[(3R)-3-(4-ethoxyphenyl)-3-oxidanyl-propyl]azaniumyl]-4-oxidanyl-butanoate

Systemtic Name: (2R)-2-[[(3R)-3-(4-ethoxyphenyl)-3-oxidanyl-propyl]azaniumyl]-4-oxidanyl-butanoate Openeye Name: (2R)-2-[[(3R)-3-(4-ethoxyphenyl)-3-hydroxy-propyl]ammonio]-4-hydroxy-butanoate CAS Name: (2R)-2-[[(3R)-3-(4-ethoxyphenyl)-3-hydroxypropyl]ammonio]-4-hydroxybutanoate IUPAC Name: (2R)-2-[[(3R)-3-(4-ethoxyphenyl)-3-hydroxypropyl]azaniumyl]-4-hydroxybutanoate Traditional Name: (2R)-4-hydroxy-2-[[(3R)-3-hydroxy-3-p-phenetyl-propyl]ammonio]butyrate Formula: C15H23NO5 MolecularWeight: 297.34682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC[NH2+]C(CCO)C(=O)[O-])O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](CC[NH2+][C@H](CCO)C(=O)[O-])O

InChI

InChI=1S/C15H23NO5/c1-2-21-12-5-3-11(4-6-12)14(18)7-9-16-13(8-10-17)15(19)20/h3-6,13-14,16-18H,2,7-10H2,1H3,(H,19,20)/t13-,14-/m1/s1