CHEBI:100510 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide ChEBI ID CHEBI:100510 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 C27H34N2O7S Net Charge 0 Average Mass 530.635 Monoisotopic Mass 530.20867 InChI InChI=1S/C27H34N2O7S/c1-34-19-8-5-9-21(13-19)37(32,33)29-18-10-11-24-22(12-18)23-14-20(35-25(16-30)27(23)36-24)15-26(31)28-17-6-3-2-4-7-17/h5,8-13,17,20,23,25,27,29-30H,2-4,6-7,14-16H2,1H3,(H,28,31)/t20-,23+,25+,27-/m1/s1 InChIKey MPXYHEQTTLDTMZ-DJOAJLSESA-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)NC5CCCCC5 ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide (CHEBI:100510) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-11884 LINCS View more database links