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Mal-L-Dap (Boc) -OSu

CAT: 0931-T204479-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204479-01Size:10 mg
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CAS Number
1703778-79-3
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Mal-L-Dap (Boc) -Osu is an ADC linker utilized in the synthesis of antibody-drug conjugates (ADCs) .
Smiles
[C@@H](C(ON1C(=O)CCC1=O)=O)(CNC(OC(C)(C)C)=O)N2C(=O)C=CC2=O
Molecular Formula
C16H19N3O8
Molecular Weight
381.337
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-L-Dap(Boc)-OSu
CAS Number1703778-79-3
PubChem CID118025294
IUPAC Name(2,5-dioxopyrrolidin-1-yl) (2S)-2-(2,5-dioxopyrrol-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Molecular FormulaC16H19N3O8
Molecular Weight381.34
XLogP-0.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity702
SMILES
CC(C)(C)OC(=O)NC[C@@H](C(=O)ON1C(=O)CCC1=O)N2C(=O)C=CC2=O
InChI
InChI=1S/C16H19N3O8/c1-16(2,3)26-15(25)17-8-9(18-10(20)4-5-11(18)21)14(24)27-19-12(22)6-7-13(19)23/h4-5,9H,6-8H2,1-3H3,(H,17,25)/t9-/m0/s1
InChIKey
NNUFGAKJIDSIFG-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Mal-L-Dap(Boc)-OSu
CAS: 1703778-79-3
CID: 118025294
Formula: C16H19N3O8
MW: 381.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight381.34
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass381.11721457
Monoisotopic Mass381.11721457
Topological Polar Surface Area139 Ų
Heavy Atom Count27
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes