CHEBI:128014 - (2S,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
ChEBI ID CHEBI:128014
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H26N4O3
Net Charge 0
Average Mass 394.468
Monoisotopic Mass 394.20049
InChI InChI=1S/C22H26N4O3/c1-2-10-24-21(29)25-14-22(15-25)19(16-6-4-3-5-7-16)18(13-27)26(22)20(28)17-8-11-23-12-9-17/h3-9,11-12,18-19,27H,2,10,13-15H2,1H3,(H,24,29)/t18-,19-/m1/s1
InChIKey BPXDWACVEOBODR-RTBURBONSA-N
SMILES CCCNC(=O)N1CC2(C1)[C@@H]([C@H](N2C(=O)C3=CC=NC=C3)CO)C4=CC=CC=C4
ChEBI Ontology
Outgoing (2S,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:128014) is a azetidines (CHEBI:38777)
(2S,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:128014) is a benzenes (CHEBI:22712)
(2S,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide (CHEBI:128014) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39570 LINCS
View more database links