CHEBI:127870 - 1-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-1-cyclopentyl-3-propan-2-ylurea

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ChEBI Name 1-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-1-cyclopentyl-3-propan-2-ylurea
ChEBI ID CHEBI:127870
Stars This entity has been manually annotated by a third party.
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Formula C22H33N3O3
Net Charge 0
Average Mass 387.517
Monoisotopic Mass 387.25219
InChI InChI=1S/C22H33N3O3/c1-15(2)23-22(28)24(18-11-7-8-12-18)13-19-21(17-9-5-4-6-10-17)20(14-26)25(19)16(3)27/h4-6,9-10,15,18-21,26H,7-8,11-14H2,1-3H3,(H,23,28)/t19-,20-,21+/m0/s1
InChIKey FQHHBQGTLDJKSJ-PCCBWWKXSA-N
SMILES CC(C)NC(=O)N(C[C@H]1[C@H]([C@@H](N1C(=O)C)CO)C2=CC=CC=C2)C3CCCC3
ChEBI Ontology
Outgoing 1-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-1-cyclopentyl-3-propan-2-ylurea (CHEBI:127870) is a azetidines (CHEBI:38777)
1-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-1-cyclopentyl-3-propan-2-ylurea (CHEBI:127870) is a benzenes (CHEBI:22712)
1-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-1-cyclopentyl-3-propan-2-ylurea (CHEBI:127870) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39426 LINCS
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