(2S)-2-[3-(hexadecanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[3-(hexadecanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[3-(hexadecanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[1-oxo-3-(1-oxohexadecylamino)propyl]amino]propanoic acid IUPAC Name: (2S)-2-[3-(hexadecanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-(3-palmitamidopropanoylamino)propionic acid Formula: C25H44N4O4 MolecularWeight: 464.64126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC(=O)NC(CC1=CN=CN1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C25H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)27-17-16-24(31)29-22(25(32)33)18-21-19-26-20-28-21/h19-20,22H,2-18H2,1H3,(H,26,28)(H,27,30)(H,29,31)(H,32,33)/t22-/m0/s1