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Chemical structure of Vc-MMAD

GC37890

Vc-MMAD

Also known as [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

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

ChemicalCAS1401963-17-4MW1369.71FormulaC70H104N12O14S
CAS number
1401963-17-4
Molecular weight
1369.71
Formula
C70H104N12O14S
Solubility
Soluble in DMSO
InChIKey
GRBICHHPFYWKKI-BDVWXETGSA-N
Catalogue number
GC37890
Brand
GLPBIO
Computed properties PubChem CID 78357803 · XLogP 6.2 · TPSA 368 Ų · H-bond donors 7
XLogP
6.2
TPSA
368 Ų
H-bond donors
7
H-bond acceptors
16
Rotatable bonds
40
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](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC4=CC=C(C=C4)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN5C(=O)C=CC5=O

Computed descriptors from PubChem (CID 78357803), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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