3-[1-(phenylmethyl)imidazol-4-yl]-2-(tetradecanoylamino)propanoic acid

Systemtic Name: 3-[1-(phenylmethyl)imidazol-4-yl]-2-(tetradecanoylamino)propanoic acid Openeye Name: 3-(1-benzylimidazol-4-yl)-2-(tetradecanoylamino)propanoic acid CAS Name: 2-(1-oxotetradecylamino)-3-[1-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 3-(1-benzylimidazol-4-yl)-2-(tetradecanoylamino)propanoic acid Traditional Name: 3-(1-benzylimidazol-4-yl)-2-(tetradecanoylamino)propionic acid Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC(CC1=CN(C=N1)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-15-18-26(31)29-25(27(32)33)19-24-21-30(22-28-24)20-23-16-13-12-14-17-23/h12-14,16-17,21-22,25H,2-11,15,18-20H2,1H3,(H,29,31)(H,32,33)