2-(3-azanylpropanoylamino)-3-(1-dodecanoylimidazol-4-yl)propanoic acid

Systemtic Name: 2-(3-azanylpropanoylamino)-3-(1-dodecanoylimidazol-4-yl)propanoic acid Openeye Name: 2-(3-aminopropanoylamino)-3-(1-dodecanoylimidazol-4-yl)propanoic acid CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-[1-(1-oxododecyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-(3-aminopropanoylamino)-3-(1-dodecanoylimidazol-4-yl)propanoic acid Traditional Name: 2-(3-aminopropanoylamino)-3-(1-lauroylimidazol-4-yl)propionic acid Formula: C21H36N4O4 MolecularWeight: 408.53494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)CCN

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C=C(N=C1)CC(C(=O)O)NC(=O)CCN

InChI

InChI=1S/C21H36N4O4/c1-2-3-4-5-6-7-8-9-10-11-20(27)25-15-17(23-16-25)14-18(21(28)29)24-19(26)12-13-22/h15-16,18H,2-14,22H2,1H3,(H,24,26)(H,28,29)