hexadecyl 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: hexadecyl 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoate Openeye Name: hexadecyl 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propionic acid cetyl ester Formula: C25H46N4O3 MolecularWeight: 450.65774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC1=CN=CN1)NC(=O)CCN

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC1=CN=CN1)NC(=O)CCN

InChI

InChI=1S/C25H46N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-32-25(31)23(29-24(30)16-17-26)19-22-20-27-21-28-22/h20-21,23H,2-19,26H2,1H3,(H,27,28)(H,29,30)