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Chemical structure of MC-Val-Cit-PAB-DX8951

GC64817

MC-Val-Cit-PAB-DX8951

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate

MC-Val-Cit-PAB-DX8951 (MC-Val-Cit-PAB-DX8951) is a drug-linker conjugate for ADC· MC-Val-Cit-PAB-DX8951 is composed of a DNA topoisomerase I DX-8951 and a cathepsin cleavable ADC linker

ChemicalCAS2504068-28-2MW1034.1FormulaC53H60FN9O12
CAS number
2504068-28-2
Molecular weight
1034.1
Formula
C53H60FN9O12
InChIKey
LTDBDCBQBJSDFT-AZRSLHAWSA-N
Catalogue number
GC64817
Brand
GLPBIO
Computed properties PubChem CID 155323537 · XLogP 1.6 · TPSA 298 Ų · H-bond donors 7
XLogP
1.6
TPSA
298 Ų
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
21
Heavy atoms
75

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN8C(=O)C=CC8=O)O

Computed descriptors from PubChem (CID 155323537), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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