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CHEBI:45766 - TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)

Default Structure
ChEBI IDCHEBI:45766
ChEBI NameTRI166 (BIFUNCTIONAL BORONATE INHIBITOR)
Stars
DownloadsMolfile
FormulaC22H34BN5O5S
Net Charge0
Average Mass491.423
Monoisotopic Mass491.23737
SMILES[H]/N=C(/SC([H])([H])C([H])([H])C([H])([H])[C@@]([H])(B(O[H])O[H])N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])C([H])([H])C1([H])[H])N([H])[H]
InChIInChI=1S/C22H34BN5O5S/c1-2-19(29)26-16(14-15-8-4-3-5-9-15)21(31)28-12-6-10-17(28)20(30)27-18(23(32)33)11-7-13-34-22(24)25/h3-5,8-9,16-18,32-33H,2,6-7,10-14H2,1H3,(H3,24,25)(H,26,29)(H,27,30)/t16-,17+,18+/m1/s1
InChIKeyIRTXHWTZQUYIAV-SQNIBIBYSA-N
ChEBI Ontology
Outgoing Relation(s)
TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) (CHEBI:45766) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-propanoyl-D-phenylalanyl-N-[(1R)-4-(carbamimidoylsulfanyl)-1-(dihydroxyboranyl)butyl]-L-prolinamidePDBeChem
TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)PDBeChem
Manual XrefsDatabases
T29PDBeChem