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Tempoacmcta

CAT: 0931-T34802-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T34802-02Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60112-10-9
Target
Others
Related Pathways
Others
Bioactivity
Tempoacmcta is a peptide.
Smiles
CC1(C)CC(NC(=O)CSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C(C)(C)N1[O] |^1:32|
Molecular Formula
C22H34N5O5S
Molecular Weight
480.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S-(((3-(2,2,5,5-Tetramethylpyrrolidine-1-oxy)amino)carbonyl)methyl)-L-cysteinyl-L-tyrosine amide
CAS Number60112-10-9
PubChem CID194099
IUPAC Name(2S)-2-[[(2R)-2-amino-3-[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)amino]-2-oxoethyl]sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanamide
Molecular FormulaC22H35N5O5S
Molecular Weight481.6
XLogP0.2
Topological Polar Surface Area196
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity711
SMILES
CC1(CC(C(N1O)(C)C)NC(=O)CSC[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)N)C
InChI
InChI=1S/C22H35N5O5S/c1-21(2)10-17(22(3,4)27(21)32)26-18(29)12-33-11-15(23)20(31)25-16(19(24)30)9-13-5-7-14(28)8-6-13/h5-8,15-17,28,32H,9-12,23H2,1-4H3,(H2,24,30)(H,25,31)(H,26,29)/t15-,16-,17?/m0/s1
InChIKey
GFNGINHGHCFSNL-PYNWJHIZSA-N
Chemical Structure
2D Structure
2D structure of S-(((3-(2,2,5,5-Tetramethylpyrrolidine-1-oxy)amino)carbonyl)methyl)-L-cysteinyl-L-tyrosine amide
CAS: 60112-10-9
CID: 194099
Formula: C22H35N5O5S
MW: 481.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.6
XLogP30.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass481.23589041
Monoisotopic Mass481.23589041
Topological Polar Surface Area196 Ų
Heavy Atom Count33
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784296Tempoacmcta

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