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Chemical structure of Fmoc-MMAE

GC63596

Fmoc-MMAE

Also known as 9H-fluoren-9-ylmethyl 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

Fmoc-MMAE is a protective group-conjugated monomethyl auristatin E (MMAE), which is a potent tubulin inhibitor· Fmoc-MMAE can be used in the synthesis of ADC

ChemicalCAS474645-26-6MW940.22FormulaC54H77N5O9
CAS number
474645-26-6
Molecular weight
940.22
Formula
C54H77N5O9
Solubility
DMSO ： ≥ 45 mg/mL (47·86 mM)
InChIKey
ZBRLIYBOHHIZKY-NMDVRVFRSA-N
Catalogue number
GC63596
Brand
GLPBIO
Computed properties PubChem CID 78358314 · XLogP 7.5 · TPSA 167 Ų · H-bond donors 3
XLogP
7.5
TPSA
167 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
23
Heavy atoms
68

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)OCC3C4=CC=CC=C4C5=CC=CC=C35

Computed descriptors from PubChem (CID 78358314), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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