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Mal-GGG-Bal-NHS ester

CAT: 0931-T84702-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84702-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1193111-65-7
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Mal-GGG-Bal-NHS ester, an ADC linker, facilitates the synthesis of antibody-drug conjugates (ADCs) [1].
Smiles
O(C(CCNC(CNC(CNC(CNC(CCCN1C(=O)C=CC1=O)=O)=O)=O)=O)=O)N2C(=O)CCC2=O
Molecular Formula
C21H26N6O10
Molecular Weight
522.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-GGG-Bal-NHS ester
CAS Number1193111-65-7
PubChem CID57945503
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[[2-[[2-[[2-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
Molecular FormulaC21H26N6O10
Molecular Weight522.5
XLogP-3.9
Topological Polar Surface Area217
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count37
Formal Charge0
Complexity989
SMILES
C1CC(=O)N(C1=O)OC(=O)CCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCN2C(=O)C=CC2=O
InChI
InChI=1S/C21H26N6O10/c28-13(2-1-9-26-17(32)3-4-18(26)33)23-11-15(30)25-12-16(31)24-10-14(29)22-8-7-21(36)37-27-19(34)5-6-20(27)35/h3-4H,1-2,5-12H2,(H,22,29)(H,23,28)(H,24,31)(H,25,30)
InChIKey
NFJWAGOKMMRHHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-GGG-Bal-NHS ester
CAS: 1193111-65-7
CID: 57945503
Formula: C21H26N6O10
MW: 522.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.5
XLogP3-3.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass522.17104105
Monoisotopic Mass522.17104105
Topological Polar Surface Area217 Ų
Heavy Atom Count37
Formal Charge0
Complexity989
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-160408Mal-GGG-Bal-NHS ester
HY-126504-01Mal-PEG2-NHS ester
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HY-130085-01Mal-PEG6-NHS ester
HY-126888-01Mal-PEG5-NHS ester
572858Mal-PEG3-NHS ester
HY-140963-01Mal-PEG12-NHS ester
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