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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

ChEBI IDCHEBI:125271
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
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FormulaC31H32N2O6S
Net Charge0
Average Mass560.672
Monoisotopic Mass560.19811
SMILESC=CCN1Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]2(CCS(=O)(=O)c2ccccc2)C1=O
InChIInChI=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
InChIKeyLMLZASNWWVXHJJ-GRKNLSHJSA-N
ChEBI Ontology
Outgoing Relation(s)
(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)
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