Mln9708
4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
Molecular Identity
Mln9708
4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acid
PubChem CID: 49867936
2D Structure
Properties
C20H23BCl2N2O9
Molecular Formula
517.10
Molecular Weight
g/mol
516.0874
Exact Mass
Da
168
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
815
Complexity
SMILES
Canonical SMILES
SMILES: B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)C(CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)ClIsomeric SMILES
SMILES: B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)ClSynonyms(20)
1201902-80-8MLN9708MLN-9708DTXSID10152721RefChem:925994DTXCID7075212MLN 97084-(carboxymethyl)-2-((R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)-6-oxo-1,3,2-dioxaborinane-4-carboxylic acidIxazomib Citrate (MLN9708)4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-6-oxo-1,3,2-dioxaborinane-4-carboxylic acidMFCD18251437ixazomib citrate 1,3,2-dioxaborinaneE8R04MBQ04CHEMBL1813256BYB90280
Data from PubChem (NCBI)
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