Name: Name:((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxaMido)propanaMido)butyl)boronic acid
Brand: Angene
SKU: AG008W3I
Rating: 90 (10 reviews)

((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxaMido)propanaMido)butyl)boronic acid

CAS No.:

1132709-14-8

Catalog Number:

AG008W3I

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG008W3I

Chemical Name:

((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxaMido)propanaMido)butyl)boronic acid

CAS Number:

1132709-14-8

MDL Number:

MFCD05260688

IUPAC Name:

[(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid

InChI:

InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m0/s1

InChI Key:

GXJABQQUPOEUTA-DOTOQJQBSA-N

Properties

Complexity:

500

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

384.197g/mol

Formal Charge:

Heavy Atom Count:

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Hydrogen Bond Donor Count:

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Molecular Weight:

384.243g/mol

Monoisotopic Mass:

384.197g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Design, synthesis, biological evaluation, and structure-activity relationship (SAR) discussion of dipeptidyl boronate proteasome inhibitors, part I: comprehensive understanding of the SAR of alpha-amino acid boronates.	Journal of medicinal chemistry 20090723