CHEBI:100631 - 2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide

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ChEBI Name 2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide ChEBI ID CHEBI:100631 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 C28H29N3O5 Net Charge 0 Average Mass 487.548 Monoisotopic Mass 487.21072 InChI InChI=1S/C28H29N3O5/c32-17-25-27-23(14-21(35-25)15-26(33)29-16-18-7-3-1-4-8-18)22-13-20(11-12-24(22)36-27)31-28(34)30-19-9-5-2-6-10-19/h1-13,21,23,25,27,32H,14-17H2,(H,29,33)(H2,30,31,34)/t21-,23+,25+,27-/m1/s1 InChIKey HYQMBLXITOJPAN-WFHOOFKDSA-N SMILES C1[C@@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=CC=C4)CO)CC(=O)NCC5=CC=CC=C5 ChEBI Ontology Outgoing 2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(phenylmethyl)acetamide (CHEBI:100631) is a ureas (CHEBI:47857) Manual Xref Database LSM-12005 LINCS View more database links