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SRX 251

CAT: 0013-GTR19196428-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196428-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SRX 251
CAS Number
512784-94-0
Field of Research
Metabolism Research
Smiles
C (=C/C1=CC=CC=C1) \[C@@H]2[C@@H] (C (=O) N2[C@H] (CC (=O) N3CCC (CC3) N4CCCCC4) C (N (CC5=CC (C (F) (F) F) =CC=C5) C) =O) N6[C@H] (COC6=O) C7=CC=CC=C7
Molecular Formula
C43H48F3N5O5
Molecular Weight
771.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Srx-251
CAS Number512784-94-0
PubChem CID11686429
IUPAC Name(2R)-N-methyl-4-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
Molecular FormulaC43H48F3N5O5
Molecular Weight771.9
XLogP5.7
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count56
Formal Charge0
Complexity1400
SMILES
CN(CC1=CC(=CC=C1)C(F)(F)F)C(=O)[C@@H](CC(=O)N2CCC(CC2)N3CCCCC3)N4[C@@H]([C@@H](C4=O)N5[C@H](COC5=O)C6=CC=CC=C6)/C=C/C7=CC=CC=C7
InChI
InChI=1S/C43H48F3N5O5/c1-47(28-31-14-11-17-33(26-31)43(44,45)46)40(53)36(27-38(52)49-24-20-34(21-25-49)48-22-9-4-10-23-48)50-35(19-18-30-12-5-2-6-13-30)39(41(50)54)51-37(29-56-42(51)55)32-15-7-3-8-16-32/h2-3,5-8,11-19,26,34-37,39H,4,9-10,20-25,27-29H2,1H3/b19-18+/t35-,36-,37-,39+/m1/s1
InChIKey
GOQPVIZMGXUXOL-GRLAPFOSSA-N
Chemical Structure
2D Structure
2D structure of Srx-251
CAS: 512784-94-0
CID: 11686429
Formula: C43H48F3N5O5
MW: 771.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight771.9
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass771.36075413
Monoisotopic Mass771.36075413
Topological Polar Surface Area93.7 Ų
Heavy Atom Count56
Formal Charge0
Complexity1400
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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