(2R)-2-azaniumyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate Openeye Name: (2R)-2-azaniumyl-3-[(4-isopropylphenyl)methylsulfanyl]propanoate CAS Name: (2R)-2-ammonio-3-[(4-propan-2-ylphenyl)methylthio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]propanoate Traditional Name: (2R)-2-ammonio-3-[(4-isopropylbenzyl)thio]propionate Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H19NO2S/c1-9(2)11-5-3-10(4-6-11)7-17-8-12(14)13(15)16/h3-6,9,12H,7-8,14H2,1-2H3,(H,15,16)/t12-/m0/s1