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

Systemtic Name: 3-[1-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-[1-[(1S)-1-methyl-2-oxo-2-piperazin-1-yl-ethyl]triazol-4-yl]propanoic acid CAS Name: 3-[1-[(2S)-1-oxo-1-(1-piperazinyl)propan-2-yl]-4-triazolyl]propanoic acid IUPAC Name: 3-[1-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]triazol-4-yl]propanoic acid Traditional Name: 3-[1-[(1S)-2-keto-1-methyl-2-piperazino-ethyl]triazol-4-yl]propionic acid Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O3/c1-9(12(20)16-6-4-13-5-7-16)17-8-10(14-15-17)2-3-11(18)19/h8-9,13H,2-7H2,1H3,(H,18,19)/t9-/m0/s1