CHEBI:108096 - 1-[1-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxo)methyl]cyclohexyl]-3-cyclohexylurea

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ChEBI Name 1-[1-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxo)methyl]cyclohexyl]-3-cyclohexylurea
ChEBI ID CHEBI:108096
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H36N4O2
Net Charge 0
Average Mass 376.537
Monoisotopic Mass 376.28383
InChI InChI=1S/C21H36N4O2/c26-19(25-15-14-24-13-7-10-18(24)16-25)21(11-5-2-6-12-21)23-20(27)22-17-8-3-1-4-9-17/h17-18H,1-16H2,(H2,22,23,27)
InChIKey NYYWDZXFMPIOHW-UHFFFAOYSA-N
SMILES C1CCC(CC1)NC(=O)NC2(CCCCC2)C(=O)N3CCN4CCCC4C3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 1-[1-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxo)methyl]cyclohexyl]-3-cyclohexylurea (CHEBI:108096) is a N-acyl-amino acid (CHEBI:51569)
Manual Xref Database
LSM-19473 LINCS
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