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MM3122

CAT: 1568-C01463-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01463-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2574390-27-3
SKU
C01463-5mg
Target
Others
Applications
Others
Smiles
CC (=O) NCC (=O) NC (CCC (N) =O) C (=O) NC (CC1=CC=CC=C1) C (=O) NC (CCCNC (N) =N) C (=O) C2=NC3=C (S2) C=CC=C3
Additionnal Information
MM3122 is a selective inhibitor of host cell serine protease TMPRSS2 (transmembrane protease serine 2) with IC50 of 0.34 nM against recombinant full-length TMPRSS2 protein.
Storage Conditions
3 years -20°C powder

Chemical Information

Ac-GQFR-kbt

unrelated to MM121

CAS Number2574390-27-3
PubChem CID155925845
IUPAC Name(2S)-2-[(2-acetamidoacetyl)amino]-N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide
Molecular FormulaC31H39N9O6S
Molecular Weight665.8
XLogP0.2
Topological Polar Surface Area282
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Heavy Atom Count47
Formal Charge0
Complexity1140
SMILES
CC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C31H39N9O6S/c1-18(41)36-17-26(43)37-22(13-14-25(32)42)28(45)39-23(16-19-8-3-2-4-9-19)29(46)38-21(11-7-15-35-31(33)34)27(44)30-40-20-10-5-6-12-24(20)47-30/h2-6,8-10,12,21-23H,7,11,13-17H2,1H3,(H2,32,42)(H,36,41)(H,37,43)(H,38,46)(H,39,45)(H4,33,34,35)/t21-,22-,23-/m0/s1
InChIKey
ZEPMYXYJCBQSLH-VABKMULXSA-N
Chemical Structure
2D Structure
2D structure of Ac-GQFR-kbt
CAS: 2574390-27-3
CID: 155925845
Formula: C31H39N9O6S
MW: 665.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight665.8
XLogP30.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count18
Exact Mass665.27440117
Monoisotopic Mass665.27440117
Topological Polar Surface Area282 Ų
Heavy Atom Count47
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T60085-01MM3122

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