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Chemical structure of Fmoc-Val-Cit-PAB-MMAE

GC33032

Fmoc-Val-Cit-PAB-MMAE

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]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

Fmoc-Val-Cit-PAB-MMAE consists the ADCs linker (Fmoc-Val-Cit-PAB) and potent tubulin inhibitor (MMAE)· Fmoc-Val-Cit-PAB-MMAE is a drug-linker conjugate for ADC

ChemicalCAS1350456-56-2MW1345.67FormulaC73H104N10O14
CAS number
1350456-56-2
Molecular weight
1345.67
Formula
C73H104N10O14
Solubility
DMSO ： ≥ 30 mg/mL (22·29 mM)
InChIKey
RHQGFVOXIOMBMC-UUMMFNFXSA-N
Catalogue number
GC33032
Brand
GLPBIO
Computed properties PubChem CID 118986648 · XLogP 8.1 · TPSA 319 Ų · H-bond donors 8
XLogP
8.1
TPSA
319 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
36
Heavy atoms
97

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)OCC4C5=CC=CC=C5C6=CC=CC=C46

Computed descriptors from PubChem (CID 118986648), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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