(2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoic acid

Systemtic Name: (2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoic acid Openeye Name: (2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoic acid CAS Name: (2S)-2,5-bis(1-oxopentacosa-10,12-diynylamino)pentanoic acid IUPAC Name: (2S)-2,5-bis(pentacosa-10,12-diynoylamino)pentanoic acid Traditional Name: (2S)-2,5-bis(pentacosa-10,12-diynoylamino)valeric acid Formula: C55H92N2O4 MolecularWeight: 845.32998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H92N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-49-53(58)56-51-47-48-52(55(60)61)57-54(59)50-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h52H,3-24,33-51H2,1-2H3,(H,56,58)(H,57,59)(H,60,61)/t52-/m0/s1