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Chemical structure of Tesirine intermediate-2

GC74107

Tesirine intermediate-2

Also known as [4-[[(2S)-2-[[(2S)-3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]propanoyl]amino]phenyl]methyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Tesirine intermediate-2 is the intermediate of Tesirine

ChemicalCAS1430738-34-3MW793.98FormulaC40H55N5O10Si
CAS number
1430738-34-3
Molecular weight
793.98
Formula
C40H55N5O10Si
Solubility
DMSO ： 200 mg/mL (251·90 mM; Need ultrasonic)
InChIKey
XKNXDIGKRXQNKC-AGUYGVQZSA-N
Catalogue number
GC74107
Brand
GLPBIO
Computed properties PubChem CID 90371633 · TPSA 185 Ų · H-bond donors 4 · H-bond acceptors 10
TPSA
185 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
16
Heavy atoms
56

SMILES CC1=CN2[C@@H](C1)[C@@H](N(C3=CC(=C(C=C3C2=O)OC)O)C(=O)OCC4=CC=C(C=C4)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OCC=C)O[Si](C)(C)C(C)(C)C

Computed descriptors from PubChem (CID 90371633), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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