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CHEBI:35043 - UR-12947

ChEBI IDCHEBI:35043
ChEBI NameUR-12947
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC26H37N5O5S2
Net Charge0
Average Mass563.746
Monoisotopic Mass563.22361
SMILESCC(C)c1nc(N2CCC(C3CCNCC3)CC2)sc1C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C26H37N5O5S2/c1-17(2)22-23(37-26(29-22)31-14-10-19(11-15-31)18-8-12-27-13-9-18)24(32)28-16-21(25(33)34)30-38(35,36)20-6-4-3-5-7-20/h3-7,17-19,21,27,30H,8-16H2,1-2H3,(H,28,32)(H,33,34)/t21-/m0/s1
InChIKeyMEZPFQCSPHLLNE-NRFANRHFSA-N
ChEBI Ontology
Outgoing Relation(s)
UR-12947 (CHEBI:35043) is a L-alanine derivative (CHEBI:83943)
Synonym  Source
UR-12947KEGG COMPOUND
Manual XrefsDatabases
C14125KEGG COMPOUND
Registry NumbersSources
CAS:718595-27-8KEGG COMPOUND