2-Borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester

Name: 2-Borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl)ester
SKU: ACM943637147
Rating: 5 (1 reviews)

CAS

943637-14-7

Catalog Number

ACM943637147

Category

Other Products

Molecular Formula

C₂₆H₄₃BN₂O₅

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

1H-Indole-1-carboxylic acid, 2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-, 1-(1,1-dimethylethyl) ester

What is the molecular formula of the compound?

The molecular formula of the compound is C26H43BN2O5.

Are there any synonyms for the compound?

Yes, some synonyms for the compound include 943637-14-7, SCHEMBL14005281, and DTXSID20723426.

What is the molecular weight of the compound?

The molecular weight of the compound is 474.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [6-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-(3-hydroxy-3-methylbutyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C26H43BN2O5/c1-17(24(2,3)4)28(10)16-18-13-19(11-12-26(8,9)31)20-15-22(27(32)33)29(21(20)14-18)23(30)34-25(5,6)7/h13-15,17,31-33H,11-12,16H2,1-10H3.

What is the InChIKey of the compound?

The InChIKey of the compound is VWZDRKUIILQDLW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC2=C(C=C(C=C2N1C(=O)OC(C)(C)C)CN(C)C(C)C(C)(C)C)CCC(C)(C)O)(O)O.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 10 rotatable bond counts.

Recommended Products