[(2S)-2,5-bis(3-azanylpropylamino)pentanoyl] (2S)-5-azanyl-2-(dihexadecylamino)-5-oxidanylidene-pentanoate

Systemtic Name: [(2S)-2,5-bis(3-azanylpropylamino)pentanoyl] (2S)-5-azanyl-2-(dihexadecylamino)-5-oxidanylidene-pentanoate Openeye Name: [(2S)-2,5-bis(3-aminopropylamino)pentanoyl] (2S)-5-amino-2-(dihexadecylamino)-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-(dihexadecylamino)-5-oxopentanoic acid [(2S)-2,5-bis(3-aminopropylamino)-1-oxopentyl] ester IUPAC Name: [(2S)-2,5-bis(3-aminopropylamino)pentanoyl] (2S)-5-amino-2-(dihexadecylamino)-5-oxopentanoate Traditional Name: (2S)-5-amino-2-(dicetylamino)-5-keto-valeric acid [(2S)-2,5-bis(3-aminopropylamino)pentanoyl] ester Formula: C48H98N6O4 MolecularWeight: 823.32952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(CCC(=O)N)C(=O)OC(=O)C(CCCNCCCN)NCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)[C@@H](CCC(=O)N)C(=O)OC(=O)[C@H](CCCNCCCN)NCCCN

InChI

InChI=1S/C48H98N6O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42-54(43-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45(35-36-46(51)55)48(57)58-47(56)44(53-41-33-38-50)34-31-39-52-40-32-37-49/h44-45,52-53H,3-43,49-50H2,1-2H3,(H2,51,55)/t44-,45-/m0/s1