2-azanyl-3-(octylamino)-2-[1-(octylamino)ethyl]butanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-(octylamino)-2-[1-(octylamino)ethyl]butanoic acid hydrochloride Openeye Name: 2-amino-3-(octylamino)-2-[1-(octylamino)ethyl]butanoic acid hydrochloride CAS Name: 2-amino-3-(octylamino)-2-[1-(octylamino)ethyl]butanoic acid hydrochloride IUPAC Name: 2-amino-3-(octylamino)-2-[1-(octylamino)ethyl]butanoic acid hydrochloride Traditional Name: 2-amino-3-(octylamino)-2-[1-(octylamino)ethyl]butyric acid hydrochloride Formula: C22H48ClN3O2 MolecularWeight: 422.08842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)C(C(C)NCCCCCCCC)(C(=O)O)N.Cl

Isomeric SMILES

CCCCCCCCNC(C)C(C(C)NCCCCCCCC)(C(=O)O)N.Cl

InChI

InChI=1S/C22H47N3O2.ClH/c1-5-7-9-11-13-15-17-24-19(3)22(23,21(26)27)20(4)25-18-16-14-12-10-8-6-2;/h19-20,24-25H,5-18,23H2,1-4H3,(H,26,27);1H