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Galnon TFA Salt

CAT: 0572-TRC-G596628-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G596628-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217448-19-5
Synonyms
3-Cyclohexyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-lysinamide TFA Salt
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C(C(O)=O)(F)(F)F.C(OC(N[C@@H](CC1CCCCC1)C(N[C@H](C(NC=2C=C3C(=CC2)C(C)=CC(=O)O3)=O)CCCCN)=O)=O)C4C=5C(C=6C4=CC=CC6)=CC=CC5
Molecular Formula
C40H46N4O6 . C 2HF3O2
Molecular Weight
792.85
InChI
InChI=1S/C40H46N4O6.C2HF3O2/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33;3-2(4,5)1(6)7/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48);(H,6,7)/t34-,35-;/m0./s1
Additionnal Information
IUPAC name: 3-cyclohexyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-lysinamide, trifluoroacetate salt
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Galnon TFA Salt
CAS Number1217448-19-5
PubChem CID16219413
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-6-amino-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate;2,2,2-trifluoroacetic acid
Molecular FormulaC42H47F3N4O8
Molecular Weight792.8
Topological Polar Surface Area186
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count57
Formal Charge0
Complexity1280
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3CCCCC3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C40H46N4O6.C2HF3O2/c1-25-21-37(45)50-36-23-27(18-19-28(25)36)42-38(46)34(17-9-10-20-41)43-39(47)35(22-26-11-3-2-4-12-26)44-40(48)49-24-33-31-15-7-5-13-29(31)30-14-6-8-16-32(30)33;3-2(4,5)1(6)7/h5-8,13-16,18-19,21,23,26,33-35H,2-4,9-12,17,20,22,24,41H2,1H3,(H,42,46)(H,43,47)(H,44,48);(H,6,7)/t34-,35-;/m0./s1
InChIKey
NLKOPSMADZXEPE-WDAFUDAASA-N
Chemical Structure
2D Structure
2D structure of Galnon TFA Salt
CAS: 1217448-19-5
CID: 16219413
Formula: C42H47F3N4O8
MW: 792.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight792.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass792.33459896
Monoisotopic Mass792.33459896
Topological Polar Surface Area186 Ų
Heavy Atom Count57
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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FG111343-01Galnon trifluoroacetate salt
B5256-5.1Galnon
A22633-50Galnon 50mg
GTR19165541-01Galnon TFA
HY-103536A-01Galnon (TFA)
SYB44819-01Galnon trifluoroacetate
A22633-10Galnon 10mg
A22633-100Galnon 100mg
A22633-25Galnon 25mg

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