CHEBI:101124 - 2-[(2R,4aS,12aS)-8-[[(2-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(1,3-dihydroisobenzofuran-5-yl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(2R,4aS,12aS)-8-[[(2-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(1,3-dihydroisobenzofuran-5-yl)acetamide
ChEBI ID CHEBI:101124
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H34N4O7
Net Charge 0
Average Mass 586.636
Monoisotopic Mass 586.24275
InChI InChI=1S/C32H34N4O7/c1-36-26-11-10-23(15-30(37)33-21-8-7-19-16-41-17-20(19)13-21)43-29(26)18-42-27-12-9-22(14-24(27)31(36)38)34-32(39)35-25-5-3-4-6-28(25)40-2/h3-9,12-14,23,26,29H,10-11,15-18H2,1-2H3,(H,33,37)(H2,34,35,39)/t23-,26+,29-/m1/s1
InChIKey XZXFEFKMJGRIPH-ZSOKXDGFSA-N
SMILES CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)NC4=CC=CC=C4OC)CC(=O)NC5=CC6=C(COC6)C=C5
ChEBI Ontology
Outgoing 2-[(2R,4aS,12aS)-8-[[(2-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(1,3-dihydroisobenzofuran-5-yl)acetamide (CHEBI:101124) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-12493 LINCS
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