(2S)-5-azanyl-2-(3-azanylpropylamino)-N-[2-(dioctadecylamino)-2-oxidanylidene-ethyl]pentanamide

Systemtic Name: (2S)-5-azanyl-2-(3-azanylpropylamino)-N-[2-(dioctadecylamino)-2-oxidanylidene-ethyl]pentanamide Openeye Name: (2S)-5-amino-2-(3-aminopropylamino)-N-[2-(dioctadecylamino)-2-oxo-ethyl]pentanamide CAS Name: (2S)-5-amino-2-(3-aminopropylamino)-N-[2-(dioctadecylamino)-2-oxoethyl]pentanamide IUPAC Name: (2S)-5-amino-2-(3-aminopropylamino)-N-[2-(dioctadecylamino)-2-oxoethyl]pentanamide Traditional Name: (2S)-5-amino-2-(3-aminopropylamino)-N-[2-(distearylamino)-2-keto-ethyl]valeramide Formula: C46H95N5O2 MolecularWeight: 750.2788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)C(CCCN)NCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)[C@H](CCCN)NCCCN

InChI

InChI=1S/C46H95N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-51(45(52)43-50-46(53)44(37-35-38-47)49-40-36-39-48)42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44,49H,3-43,47-48H2,1-2H3,(H,50,53)/t44-/m0/s1