CHEBI:189482 - 2-[(1s,4s,5s)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]-n-methyl-n-(3-pyridinylmethyl)acetamide

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ChEBI Name 2-[(1s,4s,5s)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]-n-methyl-n-(3-pyridinylmethyl)acetamide
ChEBI ID CHEBI:189482
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H38N4O2
Net Charge 0
Average Mass 414.594
Monoisotopic Mass 414.29948
InChI InChI=1S/C24H38N4O2/c1-16(2)22-11-20(12-23(29)28(6)15-19-8-7-9-25-13-19)18(5)10-21(22)14-26-24(30)27-17(3)4/h7-10,13,16-17,20-22H,11-12,14-15H2,1-6H3,(H2,26,27,30)/t20-,21-,22-/m0/s1
InChIKey VPNQOHLYUFTHNM-FKBYEOEOSA-N
SMILES O=C(N(CC=1C=CC=NC1)C)C[C@@H]2C[C@H]([C@@H](C=C2C)CNC(=O)NC(C)C)C(C)C
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) Found in leaf sheath (BTO:0005094). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-[(1s,4s,5s)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]-n-methyl-n-(3-pyridinylmethyl)acetamide (CHEBI:189482) is a monoterpenoid (CHEBI:25409)
IUPAC Name
N-methyl-2-[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propan-2-ylcarbamoylamino)methyl]cyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide
Manual Xref Database
22937257 ChemSpider
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