CAS
95340-93-5 Purity
96%
95340-93-5 Purity
96%
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1H-Indole-1-carboxylic acid, 4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-, 1-(1,1-dimethylethyl) ester
CAS
953411-04-6
Catalog Number
ACM953411046
Category
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Specification
Synonyms
1H-Indole-1-carboxylic acid, 4-[[bis(1-methylethyl)amino]carbonyl]-2-borono-, 1-(1,1-dimethylethyl) ester
What is the molecular formula of the compound mentioned in the reference?
The molecular formula is C20H29BN2O5.
What are the synonyms of the compound?
The synonyms include 953411-04-6, 1-(tert-Butoxycarbonyl)-4-(diisopropylcarbamoyl)-1H-indol-2-yl)boronic acid, SCHEMBL760776, and DTXSID40723488.
What is the molecular weight of the compound?
The molecular weight is 388.3 g/mol.
When was the compound created and modified?
The compound was created on July 12, 2012, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is [4-[di(propan-2-yl)carbamoyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C20H29BN2O5/c1-12(2)22(13(3)4)18(24)14-9-8-10-16-15(14)11-17(21(26)27)23(16)19(25)28-20(5,6)7/h8-13,26-27H,1-7H3.
What is the InChIKey of the compound?
The InChIKey is ZPALGJNKSRRODE-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is B(C1=CC2=C(C=CC=C2N1C(=O)OC(C)(C)C)C(=O)N(C(C)C)C(C)C)(O)O.
What is the CAS number of the compound?
The CAS number is 953411-04-6.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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