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

Systemtic Name: (2S)-2,5-bis(3-azanylpropylamino)-N-[2-(dioctadecylamino)-2-oxidanylidene-ethyl]pentanamide Openeye Name: (2S)-2,5-bis(3-aminopropylamino)-N-[2-(dioctadecylamino)-2-oxo-ethyl]pentanamide CAS Name: (2S)-2,5-bis(3-aminopropylamino)-N-[2-(dioctadecylamino)-2-oxoethyl]pentanamide IUPAC Name: (2S)-2,5-bis(3-aminopropylamino)-N-[2-(dioctadecylamino)-2-oxoethyl]pentanamide Traditional Name: (2S)-2,5-bis(3-aminopropylamino)-N-[2-(distearylamino)-2-keto-ethyl]valeramide Formula: C49H102N6O2 MolecularWeight: 807.37318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H102N6O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44-55(45-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48(56)46-54-49(57)47(53-43-37-40-51)38-35-41-52-42-36-39-50/h47,52-53H,3-46,50-51H2,1-2H3,(H,54,57)/t47-/m0/s1