methyl 6-azanyl-2-[2,6-bis(azanyl)hexanoyl-icosanoyl-amino]hexanoate

Systemtic Name: methyl 6-azanyl-2-[2,6-bis(azanyl)hexanoyl-icosanoyl-amino]hexanoate Openeye Name: methyl 6-amino-2-[2,6-diaminohexanoyl(icosanoyl)amino]hexanoate CAS Name: 6-amino-2-[(2,6-diamino-1-oxohexyl)-(1-oxoeicosyl)amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[2,6-diaminohexanoyl(icosanoyl)amino]hexanoate Traditional Name: 6-amino-2-[2,6-diaminohexanoyl(eicosanoyl)amino]hexanoic acid methyl ester Formula: C33H66N4O4 MolecularWeight: 582.90154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)N(C(CCCCN)C(=O)OC)C(=O)C(CCCCN)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)N(C(CCCCN)C(=O)OC)C(=O)C(CCCCN)N

InChI

InChI=1S/C33H66N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-31(38)37(32(39)29(36)24-20-22-27-34)30(33(40)41-2)25-21-23-28-35/h29-30H,3-28,34-36H2,1-2H3