CHEBI:185944 - Glycyl-H-1152

ChEBI IDCHEBI:185944
ChEBI NameGlycyl-H-1152
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N4O3S
Net Charge0
Average Mass376.482
Monoisotopic Mass376.15691
SMILESCc1cncc2cccc(S(=O)(=O)N3CCCN(C(=O)CN)C[C@@H]3C)c12
InChIInChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1
InChIKeyCMKMGFAUKPAOMG-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Glycyl-H-1152 (CHEBI:185944) is a amino acid amide (CHEBI:22475)
IUPAC Name 
2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulonyl-1,4-diazepan-1-yl]ethanone
Manual XrefsDatabases
10149930ChemSpider