CHEBI:98108 - 2-[(2R,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide

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ChEBI Name 2-[(2R,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide
ChEBI ID CHEBI:98108
Stars This entity has been manually annotated by a third party.
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Formula C30H33N3O6S
Net Charge 0
Average Mass 563.667
Monoisotopic Mass 563.20901
InChI InChI=1S/C30H33N3O6S/c1-33-26-14-13-24(17-29(34)31-18-20-8-10-22(11-9-20)21-6-4-3-5-7-21)39-28(26)19-38-27-15-12-23(32-40(2,36)37)16-25(27)30(33)35/h3-12,15-16,24,26,28,32H,13-14,17-19H2,1-2H3,(H,31,34)/t24-,26-,28-/m1/s1
InChIKey IPBHQWGLWRAHKP-OROMBRFGSA-N
SMILES CN1[C@@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C)CC(=O)NCC4=CC=C(C=C4)C5=CC=CC=C5
ChEBI Ontology
Outgoing 2-[(2R,4aR,12aS)-8-(methanesulfonamido)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-phenylphenyl)methyl]acetamide (CHEBI:98108) is a biphenyls (CHEBI:22888)
Manual Xref Database
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