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CHEBI:230817 - Lotrafiban

ChEBI IDCHEBI:230817
ChEBI NameLotrafiban
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32N4O4
Net Charge0
Average Mass428.533
Monoisotopic Mass428.24236
SMILESCN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O
InChIInChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1
InChIKeyPYZOVVQJTLOHDG-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Lotrafiban (CHEBI:230817) is a N-acylpiperidine (CHEBI:48591)
IUPAC Name 
2-[(2S)-4-methyl-3-oxo-7-(4-piperidin-4-ylpiperidine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
Manual XrefsDatabases
MWIPDBeChem
72515ChemSpider