[2-(hexanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid

Systemtic Name: [2-(hexanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Openeye Name: [2-(hexanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid CAS Name: [2-(1-oxohexylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid IUPAC Name: [2-(hexanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Traditional Name: [2-(caproylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Formula: C11H21N4O4P MolecularWeight: 304.282601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(CN1C=NC=N1)CP(=O)(O)O

Isomeric SMILES

CCCCCC(=O)NC(CN1C=NC=N1)CP(=O)(O)O

InChI

InChI=1S/C11H21N4O4P/c1-2-3-4-5-11(16)14-10(7-20(17,18)19)6-15-9-12-8-13-15/h8-10H,2-7H2,1H3,(H,14,16)(H2,17,18,19)