3-[1-[(2S)-3-methyl-1-oxidanylidene-1-piperidin-4-yl-pentan-2-yl]-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[(2S)-3-methyl-1-oxidanylidene-1-piperidin-4-yl-pentan-2-yl]-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-[1-[(1S)-2-methyl-1-(piperidine-4-carbonyl)butyl]triazol-4-yl]propanoic acid CAS Name: 3-[1-[(2S)-3-methyl-1-oxo-1-(4-piperidinyl)pentan-2-yl]-4-triazolyl]propanoic acid IUPAC Name: 3-[1-[(2S)-3-methyl-1-oxo-1-piperidin-4-ylpentan-2-yl]triazol-4-yl]propanoic acid Traditional Name: 3-[1-[(1S)-1-isonipecotoyl-2-methyl-butyl]triazol-4-yl]propionic acid Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1CCNCC1)N2C=C(N=N2)CCC(=O)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)C1CCNCC1)N2C=C(N=N2)CCC(=O)O

InChI

InChI=1S/C16H26N4O3/c1-3-11(2)15(16(23)12-6-8-17-9-7-12)20-10-13(18-19-20)4-5-14(21)22/h10-12,15,17H,3-9H2,1-2H3,(H,21,22)/t11?,15-/m0/s1