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N3-L-Cit-OH DCHA

CAT: 0931-T89699-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89699-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2737202-65-0
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
N3-L-Cit-OH DCHA is an azide-containing click chemistry reagent. This compound can be utilized to construct peptidomimetic ADC linkers through click chemistry techniques.
Smiles
N(C1CCCCC1)C2CCCCC2.[C@@H](CCCNC(N)=O)(N=[N+]=[N-])C(O)=O
Molecular Formula
C18H34N6O3
Molecular Weight
382.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N3-L-Cit-OH (DCHA)
CAS Number2737202-65-0
PubChem CID162420816
IUPAC Name(2S)-2-azido-5-(carbamoylamino)pentanoic acid;N-cyclohexylcyclohexanamine
Molecular FormulaC18H34N6O3
Molecular Weight382.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity376
SMILES
C1CCC(CC1)NC2CCCCC2.C(C[C@@H](C(=O)O)N=[N+]=[N-])CNC(=O)N
InChI
InChI=1S/C12H23N.C6H11N5O3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6(14)9-3-1-2-4(5(12)13)10-11-8/h11-13H,1-10H2;4H,1-3H2,(H,12,13)(H3,7,9,14)/t;4-/m.0/s1
InChIKey
PRCFSZNWPCQNEC-VWMHFEHESA-N
Chemical Structure
2D Structure
2D structure of N3-L-Cit-OH (DCHA)
CAS: 2737202-65-0
CID: 162420816
Formula: C18H34N6O3
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass382.26923897
Monoisotopic Mass382.26923897
Topological Polar Surface Area119 Ų
Heavy Atom Count27
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes