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Chemical structure of Boc-Val-Cit-PAB-PNP

GC62705

Boc-Val-Cit-PAB-PNP

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

Boc-Val-Cit-PAB-PNP is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS870487-10-8MW644.67FormulaC30H40N6O10
CAS number
870487-10-8
Molecular weight
644.67
Formula
C30H40N6O10
Solubility
DMSO ： 250 mg/mL (387·80 mM; Need ultrasonic)
InChIKey
SKWLDDHVHXQPOG-ZEQRLZLVSA-N
Catalogue number
GC62705
Brand
GLPBIO
Computed properties PubChem CID 75412383 · XLogP 3.5 · TPSA 233 Ų · H-bond donors 5
XLogP
3.5
TPSA
233 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
17
Heavy atoms
46

SMILES CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

Computed descriptors from PubChem (CID 75412383), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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