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

Systemtic Name: 2-[3-(dodecylcarbamoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[3-(dodecylcarbamoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[3-[[(dodecylamino)-oxomethyl]amino]-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[3-(dodecylcarbamoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-[3-(laurylcarbamoylamino)propanoylamino]propionic acid Formula: C22H39N5O4 MolecularWeight: 437.57616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N5O4/c1-2-3-4-5-6-7-8-9-10-11-13-24-22(31)25-14-12-20(28)27-19(21(29)30)15-18-16-23-17-26-18/h16-17,19H,2-15H2,1H3,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)