3-[1-[(2S)-6-azanyl-1-oxidanylidene-1-piperazin-1-yl-hexan-2-yl]-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: 3-[1-[(2S)-6-azanyl-1-oxidanylidene-1-piperazin-1-yl-hexan-2-yl]-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-[1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]triazol-4-yl]propanoic acid CAS Name: 3-[1-[(2S)-6-amino-1-oxo-1-(1-piperazinyl)hexan-2-yl]-4-triazolyl]propanoic acid IUPAC Name: 3-[1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]triazol-4-yl]propanoic acid Traditional Name: 3-[1-[(1S)-5-amino-1-(piperazine-1-carbonyl)pentyl]triazol-4-yl]propionic acid Formula: C15H26N6O3 MolecularWeight: 338.40534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CCCCN)N2C=C(N=N2)CCC(=O)O

Isomeric SMILES

C1CN(CCN1)C(=O)[C@H](CCCCN)N2C=C(N=N2)CCC(=O)O

InChI

InChI=1S/C15H26N6O3/c16-6-2-1-3-13(15(24)20-9-7-17-8-10-20)21-11-12(18-19-21)4-5-14(22)23/h11,13,17H,1-10,16H2,(H,22,23)/t13-/m0/s1