[(2R)-1-[(2S)-2-Amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid mesylate

C₁₀H₂₃BN₂O₆SCAS 150080-09-4310.17 g/mol

Open in Covalent MOL file

Amide Boronic acid Primary amine Sulfonic acid

Properties

Molecular formula: C₁₀H₂₃BN₂O₆S
Molar mass: 310.17 g/mol
Exact mass: 310.1370 Da
logP: -1.52Crippen estimate
Polar surface area: 141.2 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 3
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

150080-09-4

SMILES

B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O.CS(=O)(=O)O

InChIKey

OXYYOEIGQRXGPI-WSZWBAFRSA-N

InChI

InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1

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Names and synonyms

1 names

Talabostat mesylate

Work with [(2R)-1-[(2S)-2-Amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid mesylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-742 % similar Diprotin A90614-48-533 % similar L-Alanyl-L-proline13485-59-133 % similar Rapastinel117928-94-631 % similar (2S,3S)-3-Amino-2-methyl-4-oxo-1-azetidinesulfonic acid80082-65-131 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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