methyl 2-[[5-[(1S)-1-azanyl-3-methyl-butyl]-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[5-[(1S)-1-azanyl-3-methyl-butyl]-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-[(1S)-1-amino-3-methyl-butyl]-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[(1S)-1-amino-3-methylbutyl]-4-cyclopentyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(1S)-1-amino-3-methylbutyl]-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(1S)-1-amino-3-methyl-butyl]-4-cyclopentyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C16H28N4O2S MolecularWeight: 340.48412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C(N1C2CCCC2)SC(C)C(=O)OC)N

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C(N1C2CCCC2)SC(C)C(=O)OC)N

InChI

InChI=1S/C16H28N4O2S/c1-10(2)9-13(17)14-18-19-16(23-11(3)15(21)22-4)20(14)12-7-5-6-8-12/h10-13H,5-9,17H2,1-4H3/t11?,13-/m0/s1