CHEBI:125271 - (3aR,10bR)-3a-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-4-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3aR,10bR)-3a-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-4-one
ChEBI ID CHEBI:125271
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
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Formula C31H32N2O6S
Net Charge 0
Average Mass 560.663
Monoisotopic Mass 560.19811
InChI InChI=1S/C31H32N2O6S/c1-2-18-33-22-24-9-6-7-12-27(24)28-31(30(33)35,17-21-40(36,37)26-10-4-3-5-11-26)32-29(39-28)23-13-15-25(16-14-23)38-20-8-19-34/h2-7,9-16,28,34H,1,8,17-22H2/t28-,31-/m1/s1
InChIKey LMLZASNWWVXHJJ-GRKNLSHJSA-N
SMILES C=CCN1CC2=CC=CC=C2[C@@H]3[C@](C1=O)(N=C(O3)C4=CC=C(C=C4)OCCCO)CCS(=O)(=O)C5=CC=CC=C5
ChEBI Ontology
Outgoing (3aR,10bR)-3a-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-4-one (CHEBI:125271) is a benzazepine (CHEBI:35676)
Manual Xref Database
LSM-36741 LINCS
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