(R)-5-[2-(Boc-amino)-3-(5'-chloro-2'-fluoro-4-biphenylyl)propyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione - CAS 1802379-78-7
Catalog: |
BB013656 |
Product Name: |
(R)-5-[2-(Boc-amino)-3-(5'-chloro-2'-fluoro-4-biphenylyl)propyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione |
CAS: |
1802379-78-7 |
Synonyms: |
N-[(2R)-1-[4-(5-chloro-2-fluorophenyl)phenyl]-3-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)propan-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[(2R)-1-[4-(5-chloro-2-fluorophenyl)phenyl]-3-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)propan-2-yl]carbamate |
IUPAC Name: | tert-butyl N-[(2R)-1-[4-(5-chloro-2-fluorophenyl)phenyl]-3-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)propan-2-yl]carbamate |
Description: | (R)-5-[2-(Boc-amino)-3-(5'-chloro-2'-fluoro-4-biphenylyl)propyl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione (CAS# 1802379-78-7 ) is a useful research chemical. |
Molecular Weight: | 519.99 |
Molecular Formula: | C27H31ClFNO6 |
Canonical SMILES: | CC1(OC(=O)C(C(=O)O1)(C)CC(CC2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)F)NC(=O)OC(C)(C)C)C |
InChI: | InChI=1S/C27H31ClFNO6/c1-25(2,3)36-24(33)30-19(15-27(6)22(31)34-26(4,5)35-23(27)32)13-16-7-9-17(10-8-16)20-14-18(28)11-12-21(20)29/h7-12,14,19H,13,15H2,1-6H3,(H,30,33)/t19-/m1/s1 |
InChI Key: | VDKSOVQIIRESJX-LJQANCHMSA-N |
Publication Number | Title | Priority Date |
US-10100021-B2 | Crystalline(2S,4R)-5-(5′-chloro-2′-fluoro-[1,1′-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof | 20160308 |
US-10472335-B2 | Crystalline(2S,4R)-5-(5′-chloro-2′-fluoro-[1,1′-bipheny]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof | 20160308 |
US-2017275259-A1 | Crystalline(2s,4r)-5-(5'-chloro-2'-fluoro-[1,1'-bipheny]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof | 20160308 |
US-2019002416-A1 | Crystalline(2s,4r)-5-(5'-chloro-2'-fluoro-[1,1'-bipheny]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof | 20160308 |
US-2020157061-A1 | Crystalline (2s,4r)-5-(5'-chloro-2'-fluoro-[1,1'-biphenyl]-4-yl)-2-(ethoxymethyl)-4-(3-hydroxyisoxazole-5-carboxamido)-2-methylpentanoic acid and uses thereof | 20160308 |
Complexity: | 800 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 519.1823936000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 36 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 519.1823936000001 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 90.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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