CHEBI:107121 - N'-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N'-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide
ChEBI ID CHEBI:107121
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H28N4O6
Net Charge 0
Average Mass 456.493
Monoisotopic Mass 456.20088
InChI InChI=1S/C23H28N4O6/c1-15-10-20(26-33-15)25-21(28)8-9-23(30)27(13-22(29)24-17-4-2-3-5-17)12-16-6-7-18-19(11-16)32-14-31-18/h6-7,10-11,17H,2-5,8-9,12-14H2,1H3,(H,24,29)(H,25,26,28)
InChIKey DDJRNJGPHNFEIV-UHFFFAOYSA-N
SMILES CC1=CC(=NO1)NC(=O)CCC(=O)N(CC2=CC3=C(C=C2)OCO3)CC(=O)NC4CCCC4
ChEBI Ontology
Outgoing N'-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide (CHEBI:107121) has functional parent α-amino acid (CHEBI:33704)
N'-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide (CHEBI:107121) is a organonitrogen compound (CHEBI:35352)
N'-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide (CHEBI:107121) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-18475 LINCS
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