EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:42022 - AC-(D)PHE-PRO-BOROHOMOLYS-OH

Default Structure
ChEBI IDCHEBI:42022
ChEBI NameAC-(D)PHE-PRO-BOROHOMOLYS-OH
Stars
DownloadsMolfile
FormulaC22H35BN4O5
Net Charge0
Average Mass446.357
Monoisotopic Mass446.27005
SMILES[H]OB(O[H])[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([H])C(=O)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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
InChIInChI=1S/C22H35BN4O5/c1-16(28)25-18(15-17-9-4-2-5-10-17)22(30)27-14-8-11-19(27)21(29)26-20(23(31)32)12-6-3-7-13-24/h2,4-5,9-10,18-20,31-32H,3,6-8,11-15,24H2,1H3,(H,25,28)(H,26,29)/t18-,19+,20+/m1/s1
InChIKeyAILSWIBFGYYZTK-AABGKKOBSA-N
ChEBI Ontology
Outgoing Relation(s)
AC-(D)PHE-PRO-BOROHOMOLYS-OH (CHEBI:42022) is a unclassifieds (CHEBI:27189)
Synonyms  Source
AC-(D)PHE-PRO-BOROHOMOLYS-OHPDBeChem
N-acetyl-D-phenylalanyl-N-[(1R)-6-amino-1-(dihydroxyboranyl)hexyl]-L-prolinamidePDBeChem
Manual XrefsDatabases
DI4PDBeChem