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Chemical structure of NH2-methylpropanamide-Exatecan TFA

GC73685

NH2-methylpropanamide-Exatecan TFA

Also known as (2S)-3-amino-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-methylpropanamide;2,2,2-trifluoroacetic acid

NH2-metlpropanamide-Exatecan TFA is a metlpropanamide-modified Exatecan , which is the common ADC Cytotoxin used in the synthesis of ADC

ChemicalCAS1817857-35-4MW634.58FormulaC30H30F4N4O7
CAS number
1817857-35-4
Molecular weight
634.58
Formula
C30H30F4N4O7
InChIKey
MSMQTDLIKIFXGT-WXVOAYBSSA-N
Catalogue number
GC73685
Brand
GLPBIO
Computed properties PubChem CID 168510631 · TPSA 172 Ų · H-bond donors 4 · H-bond acceptors 13
TPSA
172 Ų
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
4
Heavy atoms
45

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)[C@@H](C)CN)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 168510631), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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