CHEBI:127473 - (2R,3R)-1-acetyl-3-[4-(1-cyclopentenyl)phenyl]-2-(hydroxymethyl)-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R)-1-acetyl-3-[4-(1-cyclopentenyl)phenyl]-2-(hydroxymethyl)-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide
ChEBI ID CHEBI:127473
Stars This entity has been manually annotated by a third party.
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Formula C23H31N3O3
Net Charge 0
Average Mass 397.511
Monoisotopic Mass 397.23654
InChI InChI=1S/C23H31N3O3/c1-15(2)24-22(29)25-13-23(14-25)21(20(12-27)26(23)16(3)28)19-10-8-18(9-11-19)17-6-4-5-7-17/h6,8-11,15,20-21,27H,4-5,7,12-14H2,1-3H3,(H,24,29)/t20-,21+/m0/s1
InChIKey MSODIOVDXIJOKS-LEWJYISDSA-N
SMILES CC(C)NC(=O)N1CC2(C1)[C@@H]([C@@H](N2C(=O)C)CO)C3=CC=C(C=C3)C4=CCCC4
ChEBI Ontology
Outgoing (2R,3R)-1-acetyl-3-[4-(1-cyclopentenyl)phenyl]-2-(hydroxymethyl)-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:127473) is a azetidines (CHEBI:38777)
(2R,3R)-1-acetyl-3-[4-(1-cyclopentenyl)phenyl]-2-(hydroxymethyl)-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:127473) is a benzenes (CHEBI:22712)
(2R,3R)-1-acetyl-3-[4-(1-cyclopentenyl)phenyl]-2-(hydroxymethyl)-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:127473) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39031 LINCS
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