ethyl (2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoate

Systemtic Name: ethyl (2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoate Openeye Name: ethyl (2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoate CAS Name: (2S)-2,5-bis(1-oxopentacosa-10,12-diynylamino)pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoate Traditional Name: (2S)-2,5-bis(pentacosa-10,12-diynoylamino)valeric acid ethyl ester Formula: C57H96N2O4 MolecularWeight: 873.38314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCCC(C(=O)OCC)NC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCC[C@@H](C(=O)OCC)NC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

InChI

InChI=1S/C57H96N2O4/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-51-55(60)58-53-49-50-54(57(62)63-6-3)59-56(61)52-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h54H,4-26,35-53H2,1-3H3,(H,58,60)(H,59,61)/t54-/m0/s1