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

Systemtic Name: 2-[hexadecanoyl-(phenylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[benzyl(hexadecanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[1-oxohexadecyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl(hexadecanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[benzyl(hexadecanoyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C29H45N3O3 MolecularWeight: 483.6859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(33)32(23-25-18-15-14-16-19-25)27(29(34)35)21-26-22-30-24-31-26/h14-16,18-19,22,24,27H,2-13,17,20-21,23H2,1H3,(H,30,31)(H,34,35)