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

Systemtic Name: 3-[1-[(2S)-3-methyl-1-oxidanylidene-1-piperazin-1-yl-pentan-2-yl]-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-[1-[(1S)-2-methyl-1-(piperazine-1-carbonyl)butyl]triazol-4-yl]propanoic acid CAS Name: 3-[1-[(2S)-3-methyl-1-oxo-1-(1-piperazinyl)pentan-2-yl]-4-triazolyl]propanoic acid IUPAC Name: 3-[1-[(2S)-3-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl]triazol-4-yl]propanoic acid Traditional Name: 3-[1-[(1S)-2-methyl-1-(piperazine-1-carbonyl)butyl]triazol-4-yl]propionic acid Formula: C15H25N5O3 MolecularWeight: 323.3907

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCNCC1)N2C=C(N=N2)CCC(=O)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCNCC1)N2C=C(N=N2)CCC(=O)O

InChI

InChI=1S/C15H25N5O3/c1-3-11(2)14(15(23)19-8-6-16-7-9-19)20-10-12(17-18-20)4-5-13(21)22/h10-11,14,16H,3-9H2,1-2H3,(H,21,22)/t11?,14-/m0/s1