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Fmoc-Ala-Ala-PAB

CAT: 0931-T87729-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T87729-01Size:25 mg
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CAS Number
1384263-83-5
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Fmoc-Ala-Ala-PAB serves as a cleavable ADC linker, employed in the synthesis of antibody-drug conjugates (ADCs) [1].
Smiles
C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)C)=O)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
Molecular Formula
C28H29N3O5
Molecular Weight
487.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fmoc-Ala-Ala-PAB
CAS Number1384263-83-5
PubChem CID68350353
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
Molecular FormulaC28H29N3O5
Molecular Weight487.5
XLogP3.2
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity746
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H29N3O5/c1-17(27(34)31-20-13-11-19(15-32)12-14-20)29-26(33)18(2)30-28(35)36-16-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-14,17-18,25,32H,15-16H2,1-2H3,(H,29,33)(H,30,35)(H,31,34)/t17-,18-/m0/s1
InChIKey
WFJHIWKUWIKWLW-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Ala-Ala-PAB
CAS: 1384263-83-5
CID: 68350353
Formula: C28H29N3O5
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass487.21072103
Monoisotopic Mass487.21072103
Topological Polar Surface Area117 Ų
Heavy Atom Count36
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes