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Chemical structure of SJG-136 intermediate-1

GC74118

SJG-136 intermediate-1

Also known as prop-2-enyl (6S,6aS)-3-[3-[[(6S,6aS)-6-hydroxy-2-methoxy-8-methylidene-11-oxo-5-prop-2-enoxycarbonyl-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-6-hydroxy-2-methoxy-8-methylidene-11-oxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

SJG-136 intermediate-1 (compound 19) is an intermediate for synthesizing SJG-136

ChemicalCAS232931-64-5MW760.79FormulaC39H44N4O12
CAS number
232931-64-5
Molecular weight
760.79
Formula
C39H44N4O12
InChIKey
TYLQEKOKKBKYJI-MMADVNDSSA-N
Catalogue number
GC74118
Brand
GLPBIO
Computed properties PubChem CID 15459778 · XLogP 3.9 · TPSA 177 Ų · H-bond donors 2
XLogP
3.9
TPSA
177 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
55

SMILES COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3[C@@H](N2C(=O)OCC=C)O)OCCCOC4=C(C=C5C(=C4)N([C@H]([C@@H]6CC(=C)CN6C5=O)O)C(=O)OCC=C)OC

Computed descriptors from PubChem (CID 15459778), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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