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

Systemtic Name: (2R)-4-methyl-2-[[(2S)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]pentanoate Openeye Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]ammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]azaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-4-methyl-valerate Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3/c1-13(2)11-15(16(19)20)18-12-17(3,21)10-9-14-7-5-4-6-8-14/h4-8,13,15,18,21H,11-12H2,1-3H3,(H,19,20)/t15-,17+/m1/s1