CHEBI:129710 - 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

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ChEBI Name 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
ChEBI ID CHEBI:129710
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H30Cl2N2O6S
Net Charge 0
Average Mass 557.488
Monoisotopic Mass 556.12016
InChI InChI=1S/C25H30Cl2N2O6S/c1-16-2-6-20(7-3-16)36(32,33)29-13-18(30)14-34-15-24-23(29)9-5-19(35-24)11-25(31)28-12-17-4-8-21(26)22(27)10-17/h2-4,6-8,10,18-19,23-24,30H,5,9,11-15H2,1H3,(H,28,31)/t18-,19+,23-,24+/m0/s1
InChIKey GFCPJFACKGWXQD-WJHCDBIXSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H](COC[C@@H]3[C@@H]2CC[C@@H](O3)CC(=O)NCC4=CC(=C(C=C4)Cl)Cl)O
ChEBI Ontology
Outgoing 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CHEBI:129710) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-41261 LINCS
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