6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-N-octyl-hexanamide

Systemtic Name: 6-azanyl-2-[[2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-N-octyl-hexanamide Openeye Name: 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-octyl-hexanamide CAS Name: 6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-N-octylhexanamide IUPAC Name: 6-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-octylhexanamide Traditional Name: 6-amino-2-[[2-(glycylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-N-octyl-hexanamide Formula: C22H41N7O3 MolecularWeight: 451.60604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(CCCCN)NC(=O)C(CC1=CN=CN1)NC(=O)CN

Isomeric SMILES

CCCCCCCCNC(=O)C(CCCCN)NC(=O)C(CC1=CN=CN1)NC(=O)CN

InChI

InChI=1S/C22H41N7O3/c1-2-3-4-5-6-9-12-26-21(31)18(10-7-8-11-23)29-22(32)19(28-20(30)14-24)13-17-15-25-16-27-17/h15-16,18-19H,2-14,23-24H2,1H3,(H,25,27)(H,26,31)(H,28,30)(H,29,32)