trans-ACUB - CAS 885012-33-9
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Catalog Number: R027001
CAS Number: 885012-33-9
PubChem Substance ID:355431112
Molecular Formula: C24H32N2O4
Molecular Weight:412.53
Purity: ≥95%
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | 4-[[Trans-4-[[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]amino]cyclohexyl]oxy]-benzoic Acid; |
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Property
Molecular Formula: | C24H32N2O4 |
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Molecular Weight | 412.53 |
Target: | Hydrolase |
Solubility | Soluble in DMSO |
Purity | ≥95% |
Storage | Store at -20°C |
Computed Descriptor
IUPAC Name | 4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid |
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InChI | InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29) |
InChIKey | KNBWKJBQDAQARU-UHFFFAOYSA-N |
SMILES | C1CC(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)C(=O)O |