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3-[(R)-dihydroxyboranyl-(2-thiophen-2-ylethanoylamino)methyl]benzoic acid

3-[(R)-dihydroxyboranyl-(2-thiophen-2-ylethanoylamino)methyl]benzoic acid

Systemtic Name:3-[(R)-dihydroxyboranyl-(2-thiophen-2-ylethanoylamino)methyl]benzoic acid
Openeye Name:3-[(R)-borono-[[2-(2-thienyl)acetyl]amino]methyl]benzoic acid
CAS Name:3-[(R)-borono-[(1-oxo-2-thiophen-2-ylethyl)amino]methyl]benzoic acid
IUPAC Name:3-[(R)-borono-[(2-thiophen-2-ylacetyl)amino]methyl]benzoic acid
Traditional Name:3-[(R)-borono-[[2-(2-thienyl)acetyl]amino]methyl]benzoic acid
Formula: C14H14BNO5S
MolecularWeight: 319.14066
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Descriptors Computed from Structure

Canonical SMILES:

B(C(C1=CC=CC(=C1)C(=O)O)NC(=O)CC2=CC=CS2)(O)O


Isomeric SMILES

B([C@H](C1=CC=CC(=C1)C(=O)O)NC(=O)CC2=CC=CS2)(O)O


InChI

InChI=1S/C14H14BNO5S/c17-12(8-11-5-2-6-22-11)16-13(15(20)21)9-3-1-4-10(7-9)14(18)19/h1-7,13,20-21H,8H2,(H,16,17)(H,18,19)/t13-/m0/s1


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