2-[[4-[3-(2,3-dioctadecoxypropylsulfanyl)propanoylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-(2,3-dioctadecoxypropylsulfanyl)propanoylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2,3-dioctadecoxypropylsulfanyl)propanoylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[3-(2,3-dioctadecoxypropylthio)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2,3-dioctadecoxypropylsulfanyl)propanoylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2,3-distearyloxypropylthio)propanoylamino]benzoyl]amino]glutaric acid Formula: C54H96N2O8S MolecularWeight: 933.41364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSCCC(=O)NC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSCCC(=O)NC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H96N2O8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42-63-45-49(64-43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)46-65-44-41-51(57)55-48-37-35-47(36-38-48)53(60)56-50(54(61)62)39-40-52(58)59/h35-38,49-50H,3-34,39-46H2,1-2H3,(H,55,57)(H,56,60)(H,58,59)(H,61,62)