(2R)-3-methyl-2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]butanoate

Systemtic Name: (2R)-3-methyl-2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]butanoate Openeye Name: (2R)-2-[[(2S)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[[(2S)-2-hydroxy-3-phenoxypropyl]azaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[[(2S)-2-hydroxy-3-phenoxy-propyl]ammonio]-3-methyl-butyrate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CC(COC1=CC=CC=C1)O

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH2+]C[C@@H](COC1=CC=CC=C1)O

InChI

InChI=1S/C14H21NO4/c1-10(2)13(14(17)18)15-8-11(16)9-19-12-6-4-3-5-7-12/h3-7,10-11,13,15-16H,8-9H2,1-2H3,(H,17,18)/t11-,13+/m0/s1