EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45518 - D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE

Default Structure
ChEBI IDCHEBI:45518
ChEBI NameD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE
Stars
DownloadsMolfile
FormulaC17H22BN2O6
Net Charge-1
Average Mass361.183
Monoisotopic Mass361.15764
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])O[B-](O[H])(O[H])[C@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c2c([H])c([H])c([H])c([H])c12
InChIInChI=1S/C17H22BN2O6/c1-11(21)20-16(18(24,25)26-10-15(19)17(22)23)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15-16,24-25H,9-10,19H2,1H3,(H,20,21)(H,22,23)/q-1/t15-,16+/m0/s1
InChIKeyKJSNEFAXFLDDDR-JKSUJKDBSA-N
ChEBI Ontology
Outgoing Relation(s)
D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE (CHEBI:45518) is a unclassifieds (CHEBI:27189)
Synonym  Source
D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEPDBeChem
Manual XrefsDatabases
SBDPDBeChem