[(2S)-4-azanyl-2-(didodecylamino)-4-oxidanylidene-butanoyl] (2S)-2,5-bis(3-azanylpropylamino)pentanoate

Systemtic Name: [(2S)-4-azanyl-2-(didodecylamino)-4-oxidanylidene-butanoyl] (2S)-2,5-bis(3-azanylpropylamino)pentanoate Openeye Name: [(2S)-4-amino-2-(didodecylamino)-4-oxo-butanoyl] (2S)-2,5-bis(3-aminopropylamino)pentanoate CAS Name: (2S)-2,5-bis(3-aminopropylamino)pentanoic acid [(2S)-4-amino-2-(didodecylamino)-1,4-dioxobutyl] ester IUPAC Name: [(2S)-4-amino-2-(didodecylamino)-4-oxobutanoyl] (2S)-2,5-bis(3-aminopropylamino)pentanoate Traditional Name: (2S)-2,5-bis(3-aminopropylamino)valeric acid [(2S)-4-amino-2-(dilaurylamino)-4-keto-butanoyl] ester Formula: C39H80N6O4 MolecularWeight: 697.0903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCCCCCCCCCC)C(CC(=O)N)C(=O)OC(=O)C(CCCNCCCN)NCCCN

Isomeric SMILES

CCCCCCCCCCCCN(CCCCCCCCCCCC)[C@@H](CC(=O)N)C(=O)OC(=O)[C@H](CCCNCCCN)NCCCN

InChI

InChI=1S/C39H80N6O4/c1-3-5-7-9-11-13-15-17-19-21-32-45(33-22-20-18-16-14-12-10-8-6-4-2)36(34-37(42)46)39(48)49-38(47)35(44-31-25-28-41)26-23-29-43-30-24-27-40/h35-36,43-44H,3-34,40-41H2,1-2H3,(H2,42,46)/t35-,36-/m0/s1