CHEBI:125862 - 1-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-3-[4-(2-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]-2-cyclopropylethanone

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ChEBI Name 1-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-3-[4-(2-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]-2-cyclopropylethanone
ChEBI ID CHEBI:125862
Stars This entity has been manually annotated by a third party.
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Formula C26H30N2O3
Net Charge 0
Average Mass 418.529
Monoisotopic Mass 418.22564
InChI InChI=1S/C26H30N2O3/c1-17-5-3-4-6-22(17)20-9-11-21(12-10-20)25-23(14-29)28(24(31)13-19-7-8-19)26(25)15-27(16-26)18(2)30/h3-6,9-12,19,23,25,29H,7-8,13-16H2,1-2H3/t23-,25+/m1/s1
InChIKey YFWUDGWAZBUJGR-NOZRDPDXSA-N
SMILES CC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3[C@H](N(C34CN(C4)C(=O)C)C(=O)CC5CC5)CO
ChEBI Ontology
Outgoing 1-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-3-[4-(2-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]-2-cyclopropylethanone (CHEBI:125862) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-37429 LINCS
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