6-azanyl-2-[12-[[6-azanyl-2-(dodecanoylamino)hexanoyl]amino]dodecanoylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[12-[[6-azanyl-2-(dodecanoylamino)hexanoyl]amino]dodecanoylamino]hexanoic acid Openeye Name: 6-amino-2-[12-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]dodecanoylamino]hexanoic acid CAS Name: 6-amino-2-[[12-[[6-amino-1-oxo-2-(1-oxododecylamino)hexyl]amino]-1-oxododecyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[12-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]dodecanoylamino]hexanoic acid Traditional Name: 6-amino-2-[12-[[6-amino-2-(lauroylamino)hexanoyl]amino]dodecanoylamino]hexanoic acid Formula: C36H71N5O5 MolecularWeight: 653.97944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)O

InChI

InChI=1S/C36H71N5O5/c1-2-3-4-5-6-8-11-14-17-26-33(42)40-31(24-19-21-28-37)35(44)39-30-23-16-13-10-7-9-12-15-18-27-34(43)41-32(36(45)46)25-20-22-29-38/h31-32H,2-30,37-38H2,1H3,(H,39,44)(H,40,42)(H,41,43)(H,45,46)