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CHEBI:135686 - alvimopan

Default Structure
ChEBI IDCHEBI:135686
ChEBI Namealvimopan
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC25H32N2O4
Net Charge0
Average Mass424.541
Monoisotopic Mass424.23621
SMILESC[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
InChIKeyUPNUIXSCZBYVBB-JVFUWBCBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
alvimopan (CHEBI:135686) is a peptide (CHEBI:16670)
Synonyms  Source
alvimopan anhydrousDrugCentral
alvimopan dihydrateDrugCentral
enteregDrugCentral
LY-246736DrugCentral
LY246736DrugCentral
Manual XrefsDatabases
143DrugCentral
HMDB0015631HMDB
Registry NumbersSources
CAS:156053-89-3DrugCentral