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Chemical structure of SuO-Glu-Val-Cit-PAB-MMAE

GC63859

SuO-Glu-Val-Cit-PAB-MMAE

Also known as (2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate

SuO-Glu-Val-Cit-PAB-MMAE consists a cleavable ADC linker (SuO-Glu-Val-Cit-PAB) and a potent tubulin inhibitor (MMAE)· SuO-Glu-Val-Cit-PAB-MMAE can be used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS1895916-24-1MW1334.6FormulaC67H103N11O17
CAS number
1895916-24-1
Molecular weight
1334.6
Formula
C67H103N11O17
InChIKey
QULAXLHJSKOZMO-FBMBWUFNSA-N
Catalogue number
GC63859
Brand
GLPBIO
Computed properties PubChem CID 132246297 · XLogP 3.9 · TPSA 373 Ų · H-bond donors 8
XLogP
3.9
TPSA
373 Ų
H-bond donors
8
H-bond acceptors
17
Rotatable bonds
39
Heavy atoms
95

SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCC(=O)ON4C(=O)CCC4=O

Computed descriptors from PubChem (CID 132246297), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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