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Chemical structure of Gly3-VC-PAB-MMAE

GC62686

Gly3-VC-PAB-MMAE

Also known as [4-[[(2S)-2-[[(2S)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(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]-N-methylcarbamate

Gly3-VC-PAB-MMAE consists a cleavable ADC linker (Gly3-VC-PAB) and a potent tubulin inhibitor (MMAE)· Gly3-VC-PAB-MMAE can be used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2684216-48-4MW1294.58FormulaC64H103N13O15
CAS number
2684216-48-4
Molecular weight
1294.58
Formula
C64H103N13O15
InChIKey
DTPCLFVVLIDRFT-DYQZUOJJSA-N
Catalogue number
GC62686
Brand
GLPBIO
Computed properties PubChem CID 146673156 · XLogP 2.4 · TPSA 394 Ų · H-bond donors 11
XLogP
2.4
TPSA
394 Ų
H-bond donors
11
H-bond acceptors
16
Rotatable bonds
38
Heavy atoms
92

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)CNC(=O)CNC(=O)CN

Computed descriptors from PubChem (CID 146673156), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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