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Chemical structure of SM-433

GC63195

SM-433

Also known as (5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-N-[(2-phenylphenyl)methyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

SM-433, a Smac mimetic, function as inhibitor of inhibitor of apoptosis proteins (IAPs)· SM-433 exhibits strong binding affinity XIAP BIR3 protein with an IC50<1 μM (patent WO2008128171A2)

ChemicalCAS1071992-81-8MW561.71FormulaC32H43N5O4
CAS number
1071992-81-8
Molecular weight
561.71
Formula
C32H43N5O4
InChIKey
SZVCBOBNBHXZKC-MZRLSVQCSA-N
Catalogue number
GC63195
Brand
GLPBIO
Computed properties PubChem CID 25173585 · XLogP 3.1 · TPSA 111 Ų · H-bond donors 3
XLogP
3.1
TPSA
111 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
41

SMILES C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NCC3=CC=CC=C3C4=CC=CC=C4)C(=O)CC(C)C)NC

Computed descriptors from PubChem (CID 25173585), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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