CHEBI:101435 - 2-[(1S,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1S,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide ChEBI ID CHEBI:101435 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 C29H37N3O5 Net Charge 0 Average Mass 507.622 Monoisotopic Mass 507.27332 InChI InChI=1S/C29H37N3O5/c1-18(19-8-4-2-5-9-19)30-27(34)16-22-15-24-23-14-21(32-29(35)31-20-10-6-3-7-11-20)12-13-25(23)37-28(24)26(17-33)36-22/h2,4-5,8-9,12-14,18,20,22,24,26,28,33H,3,6-7,10-11,15-17H2,1H3,(H,30,34)(H2,31,32,35)/t18-,22+,24+,26-,28-/m0/s1 InChIKey CGDALBMFLMENHX-WOADYHPTSA-N SMILES C[C@@H](C1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3[C@@H]([C@@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCCC5 ChEBI Ontology Outgoing 2-[(1S,3R,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:101435) is a furopyran (CHEBI:74927) Manual Xref Database LSM-12798 LINCS View more database links