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(1S,2S) -Bortezomib

CAT: 0127-BUP03700-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03700-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1132709-14-8
Synonyms
Bortezomib
Purity
=98%
Smiles
CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O

Chemical Information

((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
CAS Number1132709-14-8
PubChem CID24871309
IUPAC Name[(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
Molecular FormulaC19H25BN4O4
Molecular Weight384.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity500
SMILES
B([C@@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
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
InChIKey
GXJABQQUPOEUTA-DOTOQJQBSA-N
Chemical Structure
2D Structure
2D structure of ((S)-3-Methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
CAS: 1132709-14-8
CID: 24871309
Formula: C19H25BN4O4
MW: 384.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass384.1968855
Monoisotopic Mass384.1968855
Topological Polar Surface Area124 Ų
Heavy Atom Count28
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-B675715-1MG(1S,2S)-Bortezomib
HY-135396-01(1S,2S) -Bortezomib
159074(1S,2S) -Bortezomib-d5
TRC-B675717-25MG(1S,2S)-Bortezomib-d5
TRC-B675710-5MG(1S,2R)-Bortezomib
sc-503930(1S,2R) -Bortezomib
159060(1S,2R) -Bortezomib-d5
TRC-B675712-25MG(1S,2R)-Bortezomib-d5
TRC-H818155-50MG(1S)-3-Hydroxy Bortezomib
412801-01(1S) -3-Hydroxy Bortezomib discontinued

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