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

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(phenylmethyl)-tetradecanoyl-amino]propanoic acid Openeye Name: 2-[benzyl(tetradecanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[1-oxotetradecyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl(tetradecanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[benzyl(tetradecanoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N(CC1=CC=CC=C1)C(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N(CC1=CC=CC=C1)C(CC2=CN=CN2)C(=O)O

InChI

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