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Mdl 201053

CAT: 0931-T33262-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33262-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96922-64-4
Target
Others
Related Pathways
Others
Bioactivity
Mdl 201053 is a biochemical.
Smiles
CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF
Molecular Formula
C21H23FN2O4
Molecular Weight
386.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mdl 201053

Immunosuppressive Agent; RN given refers to compound with no isomeric designation

CAS Number96922-64-4
PubChem CID122019
IUPAC Namebenzyl N-[1-[(4-fluoro-3-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Molecular FormulaC21H23FN2O4
Molecular Weight386.4
XLogP3.3
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity517
SMILES
CC(C(=O)CF)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)
InChIKey
ASXVEBPEZMSPHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mdl 201053
CAS: 96922-64-4
CID: 122019
Formula: C21H23FN2O4
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass386.16418538
Monoisotopic Mass386.16418538
Topological Polar Surface Area84.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5782822Mdl 201053

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