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CHEBI:43809 - (1R)-3-methyl-1-{[N-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-D-alanyl]amino}butylboronic acid

ChEBI IDCHEBI:43809
ChEBI Name(1R)-3-methyl-1-{[N-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-D-alanyl]amino}butylboronic acid
Stars
ASCII Name(1R)-3-methyl-1-{[N-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-D-alanyl]amino}butylboronic acid
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H32BN3O5
Net Charge0
Average Mass441.337
Monoisotopic Mass441.24350
SMILES[H]OB(O[H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H])C([H])([H])c1c([H])c([H])c([H])c2c([H])c([H])c([H])c([H])c12)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C23H32BN3O5/c1-16(2)14-21(24(30)31)26-22(28)20(25-23(29)27-10-12-32-13-11-27)15-18-8-5-7-17-6-3-4-9-19(17)18/h3-9,16,20-21,30-31H,10-15H2,1-2H3,(H,25,29)(H,26,28)/t20-,21+/m1/s1
InChIKeyMQMHIOPMTAJOHV-RTWAWAEBSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R)-3-methyl-1-{[N-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-D-alanyl]amino}butylboronic acid (CHEBI:43809) is a boronic acids (CHEBI:38269)
(1R)-3-methyl-1-{[N-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-D-alanyl]amino}butylboronic acid (CHEBI:43809) is a morpholines (CHEBI:38785)
(1R)-3-methyl-1-{[N-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-D-alanyl]amino}butylboronic acid (CHEBI:43809) is a naphthalenes (CHEBI:25477)
(1R)-3-methyl-1-{[N-(morpholin-4-ylcarbonyl)-3-(1-naphthyl)-D-alanyl]amino}butylboronic acid (CHEBI:43809) is a ureas (CHEBI:47857)
Synonyms  Source
(1R)-3-METHYL-1-{[N-(MORPHOLIN-4-YLCARBONYL)-3-(1-NAPHTHYL)-D-ALANYL]AMINO}BUTYLBORONIC ACIDPDBeChem
[(1R)-3-methyl-1-({(2R)-2-[(morpholin-4-ylcarbonyl)amino]-3-naphthalen-1-ylpropanoyl}amino)butyl]boronic acid (non-preferred name)PDBeChem
Manual XrefsDatabases
M1NPDBeChem