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Chemical structure of (7R)-SBP-0636457

GC72962

(7R)-SBP-0636457

Also known as (4S,7R,9aS)-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide

(7R)-SBP-0636457 is the isomer of SBP-0636457 , and can be used as an experimental control

ChemicalCAS1422180-61-7MW456.58FormulaC25H36N4O4
CAS number
1422180-61-7
Molecular weight
456.58
Formula
C25H36N4O4
Solubility
DMSO ： 5 mg/mL (10·95 mM; ultrasonic and warming and heat to 60°C)
InChIKey
PBGOFGSVVXGJCA-YSCIFQABSA-N
Catalogue number
GC72962
Brand
GLPBIO
Computed properties PubChem CID 164186291 · XLogP 2.2 · TPSA 99.8 Ų · H-bond donors 3
XLogP
2.2
TPSA
99.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33

SMILES C[C@@H](C(=O)N[C@H]1CCO[C@H]2CC([C@@H](N2C1=O)C(=O)N[C@@H]3CCCC4=CC=CC=C34)(C)C)NC

Computed descriptors from PubChem (CID 164186291), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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