CHEBI:102360 - 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide

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ChEBI Name 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide
ChEBI ID CHEBI:102360
Stars This entity has been manually annotated by a third party.
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Formula C25H39N3O8S
Net Charge 0
Average Mass 541.660
Monoisotopic Mass 541.24579
InChI InChI=1S/C25H39N3O8S/c1-33-20-4-2-5-22(14-20)37(31,32)28-16-19(29)17-35-18-24-23(28)7-6-21(36-24)15-25(30)26-8-3-9-27-10-12-34-13-11-27/h2,4-5,14,19,21,23-24,29H,3,6-13,15-18H2,1H3,(H,26,30)/t19-,21+,23-,24+/m1/s1
InChIKey KOAYSPOFMXWQDS-MHHVOYGZSA-N
SMILES COC1=CC(=CC=C1)S(=O)(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCCN4CCOCC4)O
ChEBI Ontology
Outgoing 2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[3-(4-morpholinyl)propyl]acetamide (CHEBI:102360) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-13712 LINCS
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