(2R)-3-methyl-2-[[(2S)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]butanoate

Systemtic Name: (2R)-3-methyl-2-[[(2S)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]butanoate Openeye Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-3-methyl-butanoate CAS Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]ammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]azaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-3-methyl-butyrate Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CC(C)(C#CC1=CC=CC=C1)O

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH2+]C[C@](C)(C#CC1=CC=CC=C1)O

InChI

InChI=1S/C16H21NO3/c1-12(2)14(15(18)19)17-11-16(3,20)10-9-13-7-5-4-6-8-13/h4-8,12,14,17,20H,11H2,1-3H3,(H,18,19)/t14-,16+/m1/s1