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

GC73869

MC-Val-Cit-PAB-Ispinesib

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-[3-[[(1R)-1-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)-2-methylpropyl]-(4-methylbenzoyl)amino]propyl]carbamate

MC-Val-Cit-PAB-Ispinesib (Compound 509) is a potent inhibitor of Eg5

ChemicalCAS1629737-40-1MW1115.71FormulaC59H71ClN10O10
CAS number
1629737-40-1
Molecular weight
1115.71
Formula
C59H71ClN10O10
InChIKey
HIVIYIANVWSPBA-FUJQAITOSA-N
Catalogue number
GC73869
Brand
GLPBIO
Computed properties PubChem CID 117609304 · XLogP 6.5 · TPSA 271 Ų · H-bond donors 6
XLogP
6.5
TPSA
271 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
29
Heavy atoms
80

SMILES CC1=CC=C(C=C1)C(=O)N(CCCNC(=O)OCC2=CC=C(C=C2)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN3C(=O)C=CC3=O)[C@@H](C4=NC5=C(C=CC(=C5)Cl)C(=O)N4CC6=CC=CC=C6)C(C)C

Computed descriptors from PubChem (CID 117609304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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