CHEBI:127492 - N-ethyl-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]cyclopropanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-ethyl-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]cyclopropanecarboxamide
ChEBI ID CHEBI:127492
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H26N2O4S
Net Charge 0
Average Mass 366.477
Monoisotopic Mass 366.16133
InChI InChI=1S/C18H26N2O4S/c1-3-19(18(22)14-9-10-14)11-15-17(13-7-5-4-6-8-13)16(12-21)20(15)25(2,23)24/h4-8,14-17,21H,3,9-12H2,1-2H3/t15-,16+,17-/m0/s1
InChIKey JTJCLUDDQHVAKH-BBWFWOEESA-N
SMILES CCN(C[C@H]1[C@@H]([C@H](N1S(=O)(=O)C)CO)C2=CC=CC=C2)C(=O)C3CC3
ChEBI Ontology
Outgoing N-ethyl-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]cyclopropanecarboxamide (CHEBI:127492) is a azetidines (CHEBI:38777)
N-ethyl-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]cyclopropanecarboxamide (CHEBI:127492) is a benzenes (CHEBI:22712)
N-ethyl-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-2-azetidinyl]methyl]cyclopropanecarboxamide (CHEBI:127492) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39050 LINCS
View more database links