CHEBI:102896 - N-[(2R,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
ChEBI ID CHEBI:102896
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H35N3O7
Net Charge 0
Average Mass 537.605
Monoisotopic Mass 537.24750
InChI InChI=1S/C29H35N3O7/c1-32-24-8-7-22(16-27(33)30-19-4-3-5-21(14-19)36-2)39-26(24)17-38-25-9-6-20(15-23(25)29(32)35)31-28(34)18-10-12-37-13-11-18/h3-6,9,14-15,18,22,24,26H,7-8,10-13,16-17H2,1-2H3,(H,30,33)(H,31,34)/t22-,24+,26-/m1/s1
InChIKey VRPVHEJOGHTQDQ-KTIWRFAQSA-N
SMILES CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4CCOCC4)CC(=O)NC5=CC(=CC=C5)OC
ChEBI Ontology
Outgoing N-[(2R,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide (CHEBI:102896) is a anilide (CHEBI:13248)
Manual Xref Database
LSM-14242 LINCS
View more database links