CHEBI:189478 - 1-[1-({(3r,4s)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}acetyl)-4-piperidinyl]-1,3-dihydro-2h-benzimidazol-2-one

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ChEBI Name 1-[1-({(3r,4s)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}acetyl)-4-piperidinyl]-1,3-dihydro-2h-benzimidazol-2-one
ChEBI ID CHEBI:189478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H37N5O3
Net Charge 0
Average Mass 479.625
Monoisotopic Mass 479.28964
InChI InChI=1S/C27H37N5O3/c1-2-3-6-23-17-21(30-35-23)15-20-18-28-12-9-19(20)16-26(33)31-13-10-22(11-14-31)32-25-8-5-4-7-24(25)29-27(32)34/h4-5,7-8,17,19-20,22,28H,2-3,6,9-16,18H2,1H3,(H,29,34)/t19-,20-/m0/s1
InChIKey OUTDLTPCQIFKIW-PMACEKPBSA-N
SMILES O=C(N1CCC(N2C=3C(NC2=O)=CC=CC3)CC1)C[C@H]4[C@H](CNCC4)CC5=NOC(=C5)CCCC
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 1-[1-({(3r,4s)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}acetyl)-4-piperidinyl]-1,3-dihydro-2h-benzimidazol-2-one (CHEBI:189478) has functional parent δ-amino acid (CHEBI:35931)
1-[1-({(3r,4s)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}acetyl)-4-piperidinyl]-1,3-dihydro-2h-benzimidazol-2-one (CHEBI:189478) is a organonitrogen compound (CHEBI:35352)
1-[1-({(3r,4s)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}acetyl)-4-piperidinyl]-1,3-dihydro-2h-benzimidazol-2-one (CHEBI:189478) is a organooxygen compound (CHEBI:36963)
IUPAC Name
3-[1-[2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
Manual Xref Database
21384804 ChemSpider
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