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Technology Process of 1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-

1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-

Base Information
  • Chemical Name:1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-
  • CAS No.:191088-19-4
  • Molecular Formula:
  • Molecular Weight:708.68494
  • Hs Code.:
  • UNII:6137X5QNJF
  • Nikkaji Number:J984.426K
  • Wikidata:Q27263282
  • Mol file:191088-19-4.mol
1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-

Synonyms:J-104871;UNII-6137X5QNJF;191088-19-4;J-104135;6137X5QNJF;1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-penten-1-yl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-;1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-;(4R,5S)-5-(((2R,3R,E)-3-(benzo[d][1,3]dioxol-5-yl)-6-(benzo[d]oxazol-2-yl)hex-5-en-2-yl)(naphthalen-2-ylmethyl)carbamoyl)-1,3-dioxolane-2,2,4-tricarboxylic acid;1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-(((2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R-(4alpha,5alpha(1R*,2R*,4E)))-;D0BP7C;SCHEMBL15207665;SCHEMBL15207668;AKOS040745882;Q27263282;(4R,5S)-5-[[(E,2R,3R)-3-(1,3-benzodioxol-5-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)carbamoyl]-1,3-dioxolane-2,2,4-tricarboxylic acid;1,3-DIOXOLANE-2,2,4-TRICARBOXYLIC ACID, 5-(((2-(1,3-BENZODIOXOL-5-YL)-5-(2-BENZOXAZOLYL)-1-METHYL-4-PENTENYL)(2-NAPHTHALENYLMETHYL)AMINO)CARBONYL)-, (4R-(4.ALPHA.,5.ALPHA.(1R*,2R*,4E)))-;587021-49-6

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Chemical Property of 1,3-Dioxolane-2,2,4-tricarboxylic acid, 5-((((1R,2R,4E)-2-(1,3-benzodioxol-5-yl)-5-(2-benzoxazolyl)-1-methyl-4-pentenyl)(2-naphthalenylmethyl)amino)carbonyl)-, (4R,5S)-
Chemical Property:
  • XLogP3:5.4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:13
  • Rotatable Bond Count:12
  • Exact Mass:708.19552446
  • Heavy Atom Count:52
  • Complexity:1340
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MSDS Files:
Useful:
  • Canonical SMILES:CC(C(CC=CC1=NC2=CC=CC=C2O1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6=CC=CC=C6C=C5)C(=O)C7C(OC(O7)(C(=O)O)C(=O)O)C(=O)O
  • Isomeric SMILES:C[C@H]([C@H](C/C=C/C1=NC2=CC=CC=C2O1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6=CC=CC=C6C=C5)C(=O)[C@@H]7[C@@H](OC(O7)(C(=O)O)C(=O)O)C(=O)O
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