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Nitrilase

CAT: 0931-TRP-00376-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TRP-00376-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
9024-90-2
Target
Others
Related Pathways
Others
Bioactivity
Nitrilase is a biochemical reagent applied as a biomaterial or organic compound in life science research.
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nitrilase

do not confuse with NIT2 protein

CAS Number9024-90-2
PubChem CID168010003
IUPAC Namedibenzyl [4-[3-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]anilino]-2-methyl-3-oxopropyl]phenyl] phosphate;N-[2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenyl]-2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
Molecular FormulaC72H75N2O15P
Molecular Weight1239.3
Topological Polar Surface Area186
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count26
Heavy Atom Count90
Formal Charge0
Complexity1900
SMILES
CC(CC1=CC=C(C=C1)OC(C)(C)C)C(=O)NC2=C(C=CC(=C2)C=CC3=CC4=C(C(=C3)OC)OCO4)OC.CC(CC1=CC=C(C=C1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C=CC5=CC6=C(C(=C5)OC)OCO6)OC
InChI
InChI=1S/C41H40NO9P.C31H35NO6/c1-29(41(43)42-36-23-31(18-21-37(36)45-2)14-15-34-24-38(46-3)40-39(25-34)47-28-48-40)22-30-16-19-35(20-17-30)51-52(44,49-26-32-10-6-4-7-11-32)50-27-33-12-8-5-9-13-33;1-20(15-21-9-12-24(13-10-21)38-31(2,3)4)30(33)32-25-16-22(11-14-26(25)34-5)7-8-23-17-27(35-6)29-28(18-23)36-19-37-29/h4-21,23-25,29H,22,26-28H2,1-3H3,(H,42,43);7-14,16-18,20H,15,19H2,1-6H3,(H,32,33)
InChIKey
SSEVSZZAMDDDFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrilase
CAS: 9024-90-2
CID: 168010003
Formula: C72H75N2O15P
MW: 1239.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1239.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count26
Exact Mass1238.49050669
Monoisotopic Mass1238.49050669
Topological Polar Surface Area186 Ų
Heavy Atom Count90
Formal Charge0
Complexity1900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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