CHEBI:100076 - 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide ChEBI ID CHEBI:100076 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H32N2O7S Net Charge 0 Average Mass 552.641 Monoisotopic Mass 552.19302 InChI InChI=1S/C29H32N2O7S/c1-36-21-8-5-9-23(15-21)39(34,35)31-20-10-11-26-24(14-20)25-16-22(37-27(18-32)29(25)38-26)17-28(33)30-13-12-19-6-3-2-4-7-19/h2-11,14-15,22,25,27,29,31-32H,12-13,16-18H2,1H3,(H,30,33)/t22-,25-,27+,29+/m0/s1 InChIKey AJAMEWYBAUQISK-RMBZFECLSA-N SMILES COC1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)O[C@@H]4[C@H]3C[C@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5 ChEBI Ontology Outgoing 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:100076) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11455 LINCS View more database links