1,3,8-Tri(Boc)-1,3,8-triazaspiro[4.5]decane-2,4-dione - CAS 183673-68-9
Catalog: |
BB014079 |
Product Name: |
1,3,8-Tri(Boc)-1,3,8-triazaspiro[4.5]decane-2,4-dione |
CAS: |
183673-68-9 |
Synonyms: |
2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylic acid tritert-butyl ester; tritert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylate |
IUPAC Name: | tritert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-1,3,8-tricarboxylate |
Description: | A cyclic α,α-disubstituted amino acid for preparation of water-soluble highly helical peptides. |
Molecular Weight: | 469.53 |
Molecular Formula: | C22H35N3O8 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C(=O)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C22H35N3O8/c1-19(2,3)31-16(28)23-12-10-22(11-13-23)14(26)24(17(29)32-20(4,5)6)15(27)25(22)18(30)33-21(7,8)9/h10-13H2,1-9H3 |
InChI Key: | GVANXWWDBFXDBQ-UHFFFAOYSA-N |
LogP: | 3.70420 |
Publication Number | Title | Priority Date |
JP-2011516399-A | Novel peptide deformylase-inhibiting compound and method for producing the same | 20070607 |
JP-5430559-B2 | Novel peptide deformylase-inhibiting compound and method for producing the same | 20070607 |
KR-100878446-B1 | Novel peptide deformillase inhibitor compound and preparation method thereof | 20070607 |
KR-20080107570-A | Novel peptide deformillase inhibitor compound and preparation method thereof | 20070607 |
US-2010168421-A1 | A new peptide deformylase inhibitor compound and manufacturing process thereof | 20070607 |
Complexity: | 839 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 469.24241508 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 469.24241508 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 123 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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