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CAS 1076199-60-4

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1,1-Dimethylethyl 6-[[(1,1-dimethylethoxy)carbonyl]amino]-19-[3-[(mercaptoamino)carbonyl]phenoxy]-5,7-dioxo-11,14,17-trioxa-4,8-diazanonadecanoate

Description:
1,1-Dimethylethyl 6-[[(1,1-dimethylethoxy)carbonyl]amino]-19-[3-[(mercaptoamino)carbonyl]phenoxy]-5,7-dioxo-11,14,17-trioxa-4,8-diazanonadecanoate, with CAS number 1076199-60-4, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amines, esters, and dioxo moieties. This compound features a long carbon chain, indicative of its potential use in various biochemical applications. The presence of both hydrophilic and hydrophobic regions suggests that it may exhibit amphiphilic properties, which could influence its solubility and interaction with biological membranes. Additionally, the mercaptoamino group may impart reactivity, allowing for potential applications in drug development or as a biochemical probe. Its structural complexity may also suggest specific roles in molecular recognition processes or as a ligand in coordination chemistry. Overall, the unique combination of functional groups and structural features makes this compound of interest in both synthetic and medicinal chemistry contexts.
Formula:C30H48N4O11S
InChI:InChI=1S/C30H48N4O11S/c1-29(2,3)44-23(35)10-11-31-26(37)24(33-28(39)45-30(4,5)6)27(38)32-12-13-40-14-15-41-16-17-42-18-19-43-22-9-7-8-21(20-22)25(36)34-46/h7-9,20,24,46H,10-19H2,1-6H3,(H,31,37)(H,32,38)(H,33,39)(H,34,36)
InChI key:InChIKey=GYNKDJOZCMTLDR-UHFFFAOYSA-N
SMILES:O(CCOCCOCCOCCNC(C(C(NCCC(OC(C)(C)C)=O)=O)NC(OC(C)(C)C)=O)=O)C1=CC(C(NS)=O)=CC=C1
Synonyms:
  • 11,14,17-Trioxa-4,8-diazanonadecanoic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-19-[3-[(mercaptoamino)carbonyl]phenoxy]-5,7-dioxo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 6-[[(1,1-dimethylethoxy)carbonyl]amino]-19-[3-[(mercaptoamino)carbonyl]phenoxy]-5,7-dioxo-11,14,17-trioxa-4,8-diazanonadecanoate
  • 6-[[(1,1-DiMethylethoxy)carbonyl]aMino]-19-[3-[(MercaptoaMino)carbonyl]phenoxy]-5,7-dioxo-11,14,17-trioxa-4,8-diazanonadecanoic Acid 1,1-Di
  • tert-Butyl 14-(N-Boc-amino)-1-[3-(mercaptocarbamoyl)phenoxy]-13,15-dioxo-3,6,9-trioxa- 12,16-diazanonadecan-19-oate
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