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CHEBI:45046 - 1-{[1-(2-amino-3-phenylpropionyl)pyrrolidine-2-carbonyl]amino}-2-(3-cyanophenyl)ethaneboronic acid

ChEBI IDCHEBI:45046
ChEBI Name1-{[1-(2-amino-3-phenylpropionyl)pyrrolidine-2-carbonyl]amino}-2-(3-cyanophenyl)ethaneboronic acid
Stars
Last Modified7 January 2015
DownloadsMolfile
FormulaC23H27BN4O4
Net Charge0
Average Mass434.305
Monoisotopic Mass434.21254
SMILES[H]OB(O[H])[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)[C@]([H])(N([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])c1c([H])c([H])c([H])c(C#N)c1[H]
InChIInChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1
InChIKeyUFOIPTZMXQILSG-HKBOAZHASA-N
ChEBI Ontology
Outgoing Relation(s)
1-{[1-(2-amino-3-phenylpropionyl)pyrrolidine-2-carbonyl]amino}-2-(3-cyanophenyl)ethaneboronic acid (CHEBI:45046) is a N-acylpyrrolidine (CHEBI:46766)
1-{[1-(2-amino-3-phenylpropionyl)pyrrolidine-2-carbonyl]amino}-2-(3-cyanophenyl)ethaneboronic acid (CHEBI:45046) is a L-proline derivative (CHEBI:84186)
1-{[1-(2-amino-3-phenylpropionyl)pyrrolidine-2-carbonyl]amino}-2-(3-cyanophenyl)ethaneboronic acid (CHEBI:45046) is a boronic acids (CHEBI:38269)
1-{[1-(2-amino-3-phenylpropionyl)pyrrolidine-2-carbonyl]amino}-2-(3-cyanophenyl)ethaneboronic acid (CHEBI:45046) is a nitrile (CHEBI:18379)
1-{[1-(2-amino-3-phenylpropionyl)pyrrolidine-2-carbonyl]amino}-2-(3-cyanophenyl)ethaneboronic acid (CHEBI:45046) is a pyrrolidinecarboxamide (CHEBI:46770)
Synonyms  Source
1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACIDPDBeChem
D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamidePDBeChem
Manual XrefsDatabases
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