(2S)-2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: (2S)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: (2S)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: (2S)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: (2S)-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C11H18N4O2S MolecularWeight: 270.35122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1N)C2CCCCC2

Isomeric SMILES

C[C@@H](C(=O)O)SC1=NN=C(N1N)C2CCCCC2

InChI

InChI=1S/C11H18N4O2S/c1-7(10(16)17)18-11-14-13-9(15(11)12)8-5-3-2-4-6-8/h7-8H,2-6,12H2,1H3,(H,16,17)/t7-/m0/s1