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

Systemtic Name: 2-[dodecanoyl-(phenylmethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[benzyl(dodecanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[1-oxododecyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[benzyl(dodecanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[benzyl(lauroyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3/c1-2-3-4-5-6-7-8-9-13-16-24(29)28(19-21-14-11-10-12-15-21)23(25(30)31)17-22-18-26-20-27-22/h10-12,14-15,18,20,23H,2-9,13,16-17,19H2,1H3,(H,26,27)(H,30,31)