CHEBI:102503 - 2-[(2S,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide

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ChEBI Name 2-[(2S,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide
ChEBI ID CHEBI:102503
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H32ClN3O6S
Net Charge 0
Average Mass 598.112
Monoisotopic Mass 597.17003
InChI InChI=1S/C30H32ClN3O6S/c1-19(20-6-4-3-5-7-20)32-29(35)17-23-11-14-26-28(40-23)18-39-27-15-10-22(16-25(27)30(36)34(26)2)33-41(37,38)24-12-8-21(31)9-13-24/h3-10,12-13,15-16,19,23,26,28,33H,11,14,17-18H2,1-2H3,(H,32,35)/t19-,23-,26+,28-/m0/s1
InChIKey UIBIEJVTTJAUBZ-PWQSGXPHSA-N
SMILES C[C@@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)N3C
ChEBI Ontology
Outgoing 2-[(2S,4aR,12aR)-8-[(4-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:102503) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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