CHEBI:127599 - 1-cyclopentyl-3-[[(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclopentyl-3-[[(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea
ChEBI ID CHEBI:127599
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H29N3O3
Net Charge 0
Average Mass 371.474
Monoisotopic Mass 371.22089
InChI InChI=1S/C21H29N3O3/c25-13-18-19(14-6-2-1-3-7-14)17(24(18)20(26)15-10-11-15)12-22-21(27)23-16-8-4-5-9-16/h1-3,6-7,15-19,25H,4-5,8-13H2,(H2,22,23,27)/t17-,18-,19-/m1/s1
InChIKey MIGUDSVICNUUNS-GUDVDZBRSA-N
SMILES C1CCC(C1)NC(=O)NC[C@@H]2[C@H]([C@H](N2C(=O)C3CC3)CO)C4=CC=CC=C4
ChEBI Ontology
Outgoing 1-cyclopentyl-3-[[(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea (CHEBI:127599) is a azetidines (CHEBI:38777)
1-cyclopentyl-3-[[(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea (CHEBI:127599) is a benzenes (CHEBI:22712)
1-cyclopentyl-3-[[(2S,3R,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]urea (CHEBI:127599) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39156 LINCS
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