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Chemical structure of MC-Val-Cit-PAB-NH-C2-NH-Boc

GC64087

MC-Val-Cit-PAB-NH-C2-NH-Boc

Also known as tert-butyl N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonylamino]ethyl]carbamate

MC-Val-Cit-PAB-NH-C2-NH-Boc is a cathepsin cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1616727-22-0MW758.86FormulaC36H54N8O10
CAS number
1616727-22-0
Molecular weight
758.86
Formula
C36H54N8O10
InChIKey
NBIUDKXQNRHCFG-YZNIXAGQSA-N
Catalogue number
GC64087
Brand
GLPBIO
Computed properties PubChem CID 122650809 · XLogP 1.1 · TPSA 256 Ų · H-bond donors 7
XLogP
1.1
TPSA
256 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
24
Heavy atoms
54

SMILES CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)NCCNC(=O)OC(C)(C)C)NC(=O)CCCCCN2C(=O)C=CC2=O

Computed descriptors from PubChem (CID 122650809), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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