4-oxidanylidene-4-[[(E)-3-(1,2,4-triazol-1-yl)dec-1-enyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[(E)-3-(1,2,4-triazol-1-yl)dec-1-enyl]amino]butanoic acid Openeye Name: 4-oxo-4-[[(E)-3-(1,2,4-triazol-1-yl)dec-1-enyl]amino]butanoic acid CAS Name: 4-oxo-4-[[(E)-3-(1,2,4-triazol-1-yl)dec-1-enyl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[(E)-3-(1,2,4-triazol-1-yl)dec-1-enyl]amino]butanoic acid Traditional Name: 4-keto-4-[[(E)-3-(1,2,4-triazol-1-yl)dec-1-enyl]amino]butyric acid Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C=CNC(=O)CCC(=O)O)N1C=NC=N1

Isomeric SMILES

CCCCCCCC(/C=C/NC(=O)CCC(=O)O)N1C=NC=N1

InChI

InChI=1S/C16H26N4O3/c1-2-3-4-5-6-7-14(20-13-17-12-19-20)10-11-18-15(21)8-9-16(22)23/h10-14H,2-9H2,1H3,(H,18,21)(H,22,23)/b11-10+