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

Systemtic Name: (2R)-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]butanoate CAS Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]ammonio]butanoate IUPAC Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]azaniumyl]butanoate Traditional Name: (2R)-2-[[(2S)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]butyrate Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-3-13(14(17)18)16-11-15(2,19)10-9-12-7-5-4-6-8-12/h4-8,13,16,19H,3,11H2,1-2H3,(H,17,18)/t13-,15+/m1/s1