3-[2,6-bis(azanyl)hexanoylamino]-4-hexadecoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2,6-bis(azanyl)hexanoylamino]-4-hexadecoxy-4-oxidanylidene-butanoic acid Openeye Name: 3-(2,6-diaminohexanoylamino)-4-hexadecoxy-4-oxo-butanoic acid CAS Name: 3-[(2,6-diamino-1-oxohexyl)amino]-4-hexadecoxy-4-oxobutanoic acid IUPAC Name: 3-(2,6-diaminohexanoylamino)-4-hexadecoxy-4-oxobutanoic acid Traditional Name: 4-cetyloxy-3-(2,6-diaminohexanoylamino)-4-keto-butyric acid Formula: C26H51N3O5 MolecularWeight: 485.70024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C26H51N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-34-26(33)23(21-24(30)31)29-25(32)22(28)18-15-16-19-27/h22-23H,2-21,27-28H2,1H3,(H,29,32)(H,30,31)