CHEBI:130935 - 1-[[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-1-methyl-3-propylurea

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ChEBI Name 1-[[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-1-methyl-3-propylurea
ChEBI ID CHEBI:130935
Stars This entity has been manually annotated by a third party.
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Formula C22H33N3O2
Net Charge 0
Average Mass 371.517
Monoisotopic Mass 371.25728
InChI InChI=1S/C22H33N3O2/c1-3-13-23-22(27)25(2)14-19-21(20(15-26)24-19)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h7,9-12,19-21,24,26H,3-6,8,13-15H2,1-2H3,(H,23,27)/t19-,20+,21-/m1/s1
InChIKey DNZCAJZFONMYBT-QHAWAJNXSA-N
SMILES CCCNC(=O)N(C)C[C@@H]1[C@H]([C@@H](N1)CO)C2=CC=C(C=C2)C3=CCCCC3
ChEBI Ontology
Outgoing 1-[[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-1-methyl-3-propylurea (CHEBI:130935) is a azetidines (CHEBI:38777)
1-[[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-1-methyl-3-propylurea (CHEBI:130935) is a benzenes (CHEBI:22712)
1-[[(2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-1-methyl-3-propylurea (CHEBI:130935) is a ring assembly (CHEBI:36820)
Manual Xref Database
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