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Arazine

CAT: 0572-TRC-A765560-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A765560-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135304-07-3
Synonyms
Arazine
Hazard Statement
No Data Available
Smiles
CC(=CCC\C(=C\CC\C(=C\CSC[C@H](NC(=O)C)C(=O)O)\C)\C)C
Molecular Formula
C20 H33 N O3 S
Molecular Weight
367.546
InChI
InChI=1S/C20H33NO3S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-25-14-19(20(23)24)21-18(5)22/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3,(H,21,22)(H,23,24)/b16-10+,17-12+/t19-/m0/s1
Additionnal Information
IUPAC name: (2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
Shipping Conditions
Room Temperature

Chemical Information

N-acetyl-S-farnesylcysteine

Acetyl-farnesyl-cysteine is a sesquiterpenoid.

CAS Number135304-07-3
PubChem CID6438381
IUPAC Name(2R)-2-acetamido-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropanoic acid
Molecular FormulaC20H33NO3S
Molecular Weight367.5
XLogP5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity517
SMILES
CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)NC(=O)C)/C)/C)C
InChI
InChI=1S/C20H33NO3S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-25-14-19(20(23)24)21-18(5)22/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3,(H,21,22)(H,23,24)/b16-10+,17-12+/t19-/m0/s1
InChIKey
XTURYZYJYQRJDO-BNAHBJSTSA-N
Chemical Structure
2D Structure
2D structure of N-acetyl-S-farnesylcysteine
CAS: 135304-07-3
CID: 6438381
Formula: C20H33NO3S
MW: 367.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass367.21811509
Monoisotopic Mass367.21811509
Topological Polar Surface Area91.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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