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Chemical structure of Acetylene-linker-Val-Cit-PABC-MMAE

GC34122

Acetylene-linker-Val-Cit-PABC-MMAE

Also listed as Acetylene-linker-Val-Cit-PABC-MMAE (LCB14-0602)

Acetylene-linker-Val-Cit-PABC-MMAE (LCB14-0602) (LCB14-0602) consists the ADCs linker (Acetylene-linker-Val-Cit-PABC) and potent tubulin inhibitor (MMAE)· Acetylene-linker-Val-Cit-PABC-MMAE (LCB14-0602) (LCB14-0602) is a drug-linker conjugate for ADC

ChemicalCAS1411977-95-1MW1307.62FormulaC67H106N10O16
CAS number
1411977-95-1
Molecular weight
1307.62
Formula
C67H106N10O16
Solubility
Soluble in DMSO
InChIKey
HJNJEHBZUVWTEJ-MKXMLHHLSA-N
Catalogue number
GC34122
Brand
GLPBIO
Computed properties PubChem CID 118986649 · XLogP 4.3 · TPSA 337 Ų · H-bond donors 8
XLogP
4.3
TPSA
337 Ų
H-bond donors
8
H-bond acceptors
16
Rotatable bonds
42
Heavy atoms
93

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)COCCOCCOCC#C

Computed descriptors from PubChem (CID 118986649), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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