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

Systemtic Name: (2R)-2-[[(2R)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]ammonio]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]azaniumyl]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-4-(methylthio)butyrate Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-16(20,10-8-13-6-4-3-5-7-13)12-17-14(15(18)19)9-11-21-2/h3-7,14,17,20H,9,11-12H2,1-2H3,(H,18,19)/t14-,16-/m1/s1