CHEBI:129471 - 1-[(2S,3R)-1-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2S,3R)-1-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
ChEBI ID CHEBI:129471
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H30N2O4
Net Charge 0
Average Mass 434.528
Monoisotopic Mass 434.22056
InChI InChI=1S/C26H30N2O4/c1-17-4-3-5-21(12-17)18-6-8-19(9-7-18)24-22(13-29)28(25(31)20-10-11-20)26(24)15-27(16-26)23(30)14-32-2/h3-9,12,20,22,24,29H,10-11,13-16H2,1-2H3/t22-,24-/m1/s1
InChIKey RSWMBKZIDGCISK-ISKFKSNPSA-N
SMILES CC1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@H](N(C34CN(C4)C(=O)COC)C(=O)C5CC5)CO
ChEBI Ontology
Outgoing 1-[(2S,3R)-1-[cyclopropyl(oxo)methyl]-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone (CHEBI:129471) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-41022 LINCS
View more database links