(2S)-2,5-bis(azanyl)-N-[2-oxidanylidene-2-[2-(pentatriacontan-18-ylamino)ethanoylamino]ethyl]pentanamide

Systemtic Name: (2S)-2,5-bis(azanyl)-N-[2-oxidanylidene-2-[2-(pentatriacontan-18-ylamino)ethanoylamino]ethyl]pentanamide Openeye Name: (2S)-2,5-diamino-N-[2-[[2-(1-heptadecyloctadecylamino)acetyl]amino]-2-oxo-ethyl]pentanamide CAS Name: (2S)-2,5-diamino-N-[2-oxo-2-[[1-oxo-2-(pentatriacontan-18-ylamino)ethyl]amino]ethyl]pentanamide IUPAC Name: (2S)-2,5-diamino-N-[2-oxo-2-[[2-(pentatriacontan-18-ylamino)acetyl]amino]ethyl]pentanamide Traditional Name: (2S)-2,5-diamino-N-[2-[[2-(1-heptadecyloctadecylamino)acetyl]amino]-2-keto-ethyl]valeramide Formula: C44H89N5O3 MolecularWeight: 736.20916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)NCC(=O)NC(=O)CNC(=O)C(CCCN)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)NCC(=O)NC(=O)CNC(=O)[C@H](CCCN)N

InChI

InChI=1S/C44H89N5O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-40(35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-38-42(50)49-43(51)39-48-44(52)41(46)36-33-37-45/h40-41,47H,3-39,45-46H2,1-2H3,(H,48,52)(H,49,50,51)/t41-/m0/s1