CHEBI:110392 - 2-[(1R,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(1R,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide ChEBI ID CHEBI:110392 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 C28H35N3O6 Net Charge 0 Average Mass 509.595 Monoisotopic Mass 509.25259 InChI InChI=1S/C28H35N3O6/c1-35-20-9-6-17(7-10-20)15-29-26(33)14-21-13-23-22-12-19(31-28(34)30-18-4-2-3-5-18)8-11-24(22)37-27(23)25(16-32)36-21/h6-12,18,21,23,25,27,32H,2-5,13-16H2,1H3,(H,29,33)(H2,30,31,34)/t21-,23-,25+,27+/m0/s1 InChIKey WDVMFXWGGYMVKP-JZEPBHRJSA-N SMILES COC1=CC=C(C=C1)CNC(=O)C[C@@H]2C[C@@H]3[C@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5CCCC5 ChEBI Ontology Outgoing 2-[(1R,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CHEBI:110392) is a furopyran (CHEBI:74927) Manual Xref Database LSM-21840 LINCS View more database links