Taniborbactam
(3R)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Molecular Identity
Taniborbactam
(3R)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
PubChem CID: 76902493
2D Structure
Properties
C19H28BN3O5
Molecular Formula
389.30
Molecular Weight
g/mol
389.2122
Exact Mass
Da
134
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
7
H-Bond Acceptors
544
Complexity
SMILES
Canonical SMILES
SMILES: B1(C(CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)OIsomeric SMILES
SMILES: B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)OSynonyms(20)
Taniborbactam1613267-49-4VNRX5133Taniborbactam [INN]Taniborbactam [USAN]VNRX-5133(3R)-3-[[2-[4-(2-aminoethylamino)cyclohexyl]acetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acidCHEMBL4463697CHEMBL45847058IGQ156Z07(R)-3-(2-(trans-4-((2-aminoethyl)amino)cyclohexyl)acetamido)-2-hydroxy-3,4-dihydro-2H-benzo[e][1,2]oxaborinine-8-carboxylic acidTaniborbactam free base2H-1,2-Benzoxaborin-8-carboxylic acid, 3-((2-(trans-4-((2-aminoethyl)amino)cyclohexyl)acetyl)amino)-3,4-dihydro-2-hydroxy-, (3R)-2H-1,2-Benzoxaborin-8-carboxylic acid, 3-[[2-[trans-4-[(2-aminoethyl)amino]cyclohexyl]acetyl]amino]-3,4-dihydro-2-hydroxy-, (3R)-Taniborbactam, cis-
Data from PubChem (NCBI)
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