icosan-9-yl (2S)-5-[bis(azanyl)methylideneamino]-2-(tetradecanoylamino)pentanoate

Systemtic Name: icosan-9-yl (2S)-5-[bis(azanyl)methylideneamino]-2-(tetradecanoylamino)pentanoate Openeye Name: 1-octyldodecyl (2S)-5-guanidino-2-(tetradecanoylamino)pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-(1-oxotetradecylamino)pentanoic acid eicosan-9-yl ester IUPAC Name: icosan-9-yl (2S)-5-(diaminomethylideneamino)-2-(tetradecanoylamino)pentanoate Traditional Name: (2S)-5-guanidino-2-(tetradecanoylamino)valeric acid 1-octyldodecyl ester Formula: C40H80N4O3 MolecularWeight: 665.0882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)OC(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)OC(CCCCCCCC)CCCCCCCCCCC

InChI

InChI=1S/C40H80N4O3/c1-4-7-10-13-16-18-19-21-23-26-29-34-38(45)44-37(33-30-35-43-40(41)42)39(46)47-36(31-27-24-15-12-9-6-3)32-28-25-22-20-17-14-11-8-5-2/h36-37H,4-35H2,1-3H3,(H,44,45)(H4,41,42,43)/t36?,37-/m0/s1