3-(1H-imidazol-5-yl)-2-[phenylmethoxymethyl(tetradecanoyl)amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[phenylmethoxymethyl(tetradecanoyl)amino]propanoic acid Openeye Name: 2-[benzyloxymethyl(tetradecanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[1-oxotetradecyl(phenylmethoxymethyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[phenylmethoxymethyl(tetradecanoyl)amino]propanoic acid Traditional Name: 2-[benzoxymethyl(tetradecanoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C28H43N3O4 MolecularWeight: 485.65872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N(COCC1=CC=CC=C1)C(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N(COCC1=CC=CC=C1)C(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C28H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-27(32)31(23-35-21-24-16-13-12-14-17-24)26(28(33)34)19-25-20-29-22-30-25/h12-14,16-17,20,22,26H,2-11,15,18-19,21,23H2,1H3,(H,29,30)(H,33,34)