3-[hexyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 3-[hexyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 3-[hexyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-[hexyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 3-[hexyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[hexyl(1H-1,2,4-triazol-5-ylmethyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C15H24N6O2 MolecularWeight: 320.39006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=NC=NN1)C(CC(=O)O)C2=CN=CN2

Isomeric SMILES

CCCCCCN(CC1=NC=NN1)C(CC(=O)O)C2=CN=CN2

InChI

InChI=1S/C15H24N6O2/c1-2-3-4-5-6-21(9-14-18-11-19-20-14)13(7-15(22)23)12-8-16-10-17-12/h8,10-11,13H,2-7,9H2,1H3,(H,16,17)(H,22,23)(H,18,19,20)