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Chemical structure of Aurantiamide benzoate

GC26871

Aurantiamide benzoate

Also known as [(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-phenylpropyl] benzoate

Aurantiamide benzoate is a nature product that could be isolated from two tropical medicinal plants, Cunila spicata and Hyptis fasciculata· Aurantiamide benzoate is a potent xanthine oxidase inhiobitor with an IC50 value of 70 μM

ChemicalCAS150881-02-0MW506.59FormulaC32H30N2O4
CAS number
150881-02-0
Molecular weight
506.59
Formula
C32H30N2O4
InChIKey
WJJGUIYRXBJSMQ-VMPREFPWSA-N
Catalogue number
GC26871
Brand
GLPBIO
Computed properties PubChem CID 102153907 · XLogP 6.1 · TPSA 84.5 Ų · H-bond donors 2
XLogP
6.1
TPSA
84.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
38

SMILES C1=CC=C(C=C1)C[C@@H](COC(=O)C2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Computed descriptors from PubChem (CID 102153907), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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