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CHEBI:3147 - Boc-Asn-OPhNO2

ChEBI IDCHEBI:3147
ChEBI NameBoc-Asn-OPhNO2
Stars
Last Modified13 March 2018
DownloadsMolfile
FormulaC15H19N3O7
Net Charge0
Average Mass353.331
Monoisotopic Mass353.12230
SMILESCC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H19N3O7/c1-15(2,3)25-14(21)17-11(8-12(16)19)13(20)24-10-6-4-9(5-7-10)18(22)23/h4-7,11H,8H2,1-3H3,(H2,16,19)(H,17,21)/t11-/m0/s1
InChIKeyIAPXDJMULQXGDD-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
Boc-Asn-OPhNO2 (CHEBI:3147) has functional parent 4-nitrophenol (CHEBI:16836)
Boc-Asn-OPhNO2 (CHEBI:3147) is a C-nitro compound (CHEBI:35716)
Boc-Asn-OPhNO2 (CHEBI:3147) is a L-asparagine derivative (CHEBI:52987)
Boc-Asn-OPhNO2 (CHEBI:3147) is a carbamate ester (CHEBI:23003)
Boc-Asn-OPhNO2 (CHEBI:3147) is a primary carboxamide (CHEBI:140324)
Synonym  Source
Boc-Asn-OPhNO2KEGG COMPOUND
Manual XrefsDatabases
C02138KEGG COMPOUND