(2R)-4-methyl-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]pentanoate

Systemtic Name: (2R)-4-methyl-2-[[(2R)-2-oxidanyl-3-phenoxy-propyl]azaniumyl]pentanoate Openeye Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]ammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]azaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[[(2R)-2-hydroxy-3-phenoxy-propyl]ammonio]-4-methyl-valerate Formula: C15H23NO4 MolecularWeight: 281.34742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO4/c1-11(2)8-14(15(18)19)16-9-12(17)10-20-13-6-4-3-5-7-13/h3-7,11-12,14,16-17H,8-10H2,1-2H3,(H,18,19)/t12-,14-/m1/s1