CHEBI:130990 - (2S,3S)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide
ChEBI ID CHEBI:130990
Stars This entity has been manually annotated by a third party.
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Formula C22H31N3O3
Net Charge 0
Average Mass 385.501
Monoisotopic Mass 385.23654
InChI InChI=1S/C22H31N3O3/c1-15(2)23-21(28)24-13-22(14-24)19(16-8-4-3-5-9-16)18(12-26)25(22)20(27)17-10-6-7-11-17/h3-5,8-9,15,17-19,26H,6-7,10-14H2,1-2H3,(H,23,28)/t18-,19+/m1/s1
InChIKey OTKFBCIOELUYNZ-MOPGFXCFSA-N
SMILES CC(C)NC(=O)N1CC2(C1)[C@H]([C@H](N2C(=O)C3CCCC3)CO)C4=CC=CC=C4
ChEBI Ontology
Outgoing (2S,3S)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:130990) is a azetidines (CHEBI:38777)
(2S,3S)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:130990) is a benzenes (CHEBI:22712)
(2S,3S)-1-[cyclopentyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:130990) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-42538 LINCS
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