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Chemical structure of Fmoc-MMAF-OMe

GC76002

Fmoc-MMAF-OMe

Also known as methyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate

Fmoc-MMAF-OMe is an anticancer agent and tubulin polymerization inhibitor with an Fmoc protecting group

ChemicalCAS863971-38-4MW968.23FormulaC55H77N5O10
CAS number
863971-38-4
Molecular weight
968.23
Formula
C55H77N5O10
Solubility
DMSO: 200 mg/mL (206·56 mM; Need ultrasonic)
InChIKey
MDJMZQUALDTONI-OVPIWJPHSA-N
Catalogue number
GC76002
Brand
GLPBIO
Computed properties PubChem CID 118704820 · XLogP 8.2 · TPSA 173 Ų · H-bond donors 2
XLogP
8.2
TPSA
173 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
25
Heavy atoms
70

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](CC2=CC=CC=C2)C(=O)OC)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 118704820), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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