4-azanyl-2-[bis[(E)-octadec-9-enyl]amino]-4-oxidanylidene-butanoic acid hydrochloride

Systemtic Name: 4-azanyl-2-[bis[(E)-octadec-9-enyl]amino]-4-oxidanylidene-butanoic acid hydrochloride Openeye Name: 4-amino-2-[bis[(E)-octadec-9-enyl]amino]-4-oxo-butanoic acid hydrochloride CAS Name: 4-amino-2-[bis[(E)-octadec-9-enyl]amino]-4-oxobutanoic acid hydrochloride IUPAC Name: 4-amino-2-[bis[(E)-octadec-9-enyl]amino]-4-oxobutanoic acid hydrochloride Traditional Name: 4-amino-2-[bis[(E)-octadec-9-enyl]amino]-4-keto-butyric acid hydrochloride Formula: C40H77ClN2O3 MolecularWeight: 669.50398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC)C(CC(=O)N)C(=O)O.Cl

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C(C(=O)O)CC(=O)N)CCCCCCCC/C=C/CCCCCCCC.Cl

InChI

InChI=1S/C40H76N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(38(40(44)45)37-39(41)43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h17-20,38H,3-16,21-37H2,1-2H3,(H2,41,43)(H,44,45);1H/b19-17+,20-18+;