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CAS 1076199-17-1

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

Description:
The chemical substance known as 1-(1,1-Dimethylethyl) 19-(3-carboxyphenoxy)-6-[[(1,1-dimethylethoxy)carbonyl]amino]-5,7-dioxo-11,14,17-trioxa-4,8-diazanonadecanoate, with the CAS number 1076199-17-1, is a complex organic compound characterized by its multi-functional groups and structural features. It contains a carboxyphenoxy moiety, which suggests potential applications in pharmaceuticals or agrochemicals due to its ability to interact with biological systems. The presence of multiple carbonyl groups indicates potential reactivity and the possibility of forming hydrogen bonds, which can influence solubility and stability. Additionally, the compound features a diazane ring, contributing to its nitrogen content and possibly affecting its biological activity. The presence of ether and ester linkages suggests that it may exhibit unique properties related to solubility and reactivity. Overall, this compound's intricate structure may lead to diverse applications, particularly in medicinal chemistry or as a functional material, although specific properties such as melting point, boiling point, and solubility would require empirical determination.
Formula:C30H47N3O12
InChI:InChI=1S/C30H47N3O12/c1-29(2,3)44-23(34)10-11-31-25(35)24(33-28(39)45-30(4,5)6)26(36)32-12-13-40-14-15-41-16-17-42-18-19-43-22-9-7-8-21(20-22)27(37)38/h7-9,20,24H,10-19H2,1-6H3,(H,31,35)(H,32,36)(H,33,39)(H,37,38)
InChI key:InChIKey=GXQWMSFJRGMWGC-UHFFFAOYSA-N
SMILES:O(CCOCCOCCOCCNC(C(C(NCCC(OC(C)(C)C)=O)=O)NC(OC(C)(C)C)=O)=O)C1=CC(C(O)=O)=CC=C1
Synonyms:
  • 1-(1,1-Dimethylethyl) 19-(3-carboxyphenoxy)-6-[[(1,1-dimethylethoxy)carbonyl]amino]-5,7-dioxo-11,14,17-trioxa-4,8-diazanonadecanoate
  • 11,14,17-Trioxa-4,8-diazanonadecanoic acid, 19-(3-carboxyphenoxy)-6-[[(1,1-dimethylethoxy)carbonyl]amino]-5,7-dioxo-, 1-(1,1-dimethylethyl) ester
  • 19-(3-Carboxyphenoxy)-6-[[(1,1-diMethylethoxy)carbonyl]aMino]-5,7-dioxo-11,14,17-trioxa-4,8-diazanonadecanoic Acid 1-(1,1-DiMethylethyl) Ester
  • 3-[14-(N-Boc-amino)-21,21-dimethyl-13,15,19-trioxo-3,6,9,20-tetraoxa-12,16-diazadocosyloxy]benzoic Acid
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