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JP4-039

CAT: 0926-FYB49216-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FYB49216-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1205492-16-5
Smiles
O=C (C/C=C/[C@@H] (NC (OC (C) (C) C) =O) CC (C) C) NC1CC (C) (C) N ([O]) C (C) (C) C1
Molecular Formula
C23H42N3O4
Molecular Weight
424.6 g/mol
Controlled
No

Chemical Information

tert-butyl N-[(E,4S)-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CAS Number1205492-16-5
PubChem CID70894087
IUPAC Nametert-butyl N-[(E,4S)-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
Molecular FormulaC23H43N3O4
Molecular Weight425.6
XLogP3.7
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity602
SMILES
CC(C)C[C@@H](/C=C/CC(=O)NC1CC(N(C(C1)(C)C)O)(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H43N3O4/c1-16(2)13-17(25-20(28)30-21(3,4)5)11-10-12-19(27)24-18-14-22(6,7)26(29)23(8,9)15-18/h10-11,16-18,29H,12-15H2,1-9H3,(H,24,27)(H,25,28)/b11-10+/t17-/m1/s1
InChIKey
RMCJGDMSSLVWTE-SXSDINLZSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl N-[(E,4S)-8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CAS: 1205492-16-5
CID: 70894087
Formula: C23H43N3O4
MW: 425.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.6
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass425.32535686
Monoisotopic Mass425.32535686
Topological Polar Surface Area90.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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