CHEBI:122875 - 2-[(1S,3S,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid

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ChEBI Name 2-[(1S,3S,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid ChEBI ID CHEBI:122875 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 C21H28N2O6 Net Charge 0 Average Mass 404.458 Monoisotopic Mass 404.19474 InChI InChI=1S/C21H28N2O6/c24-11-18-20-16(9-14(28-18)10-19(25)26)15-8-13(6-7-17(15)29-20)23-21(27)22-12-4-2-1-3-5-12/h6-8,12,14,16,18,20,24H,1-5,9-11H2,(H,25,26)(H2,22,23,27)/t14-,16+,18-,20-/m0/s1 InChIKey BVUMLAQBIXIYMI-HUOQQOJOSA-N SMILES C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)O ChEBI Ontology Outgoing 2-[(1S,3S,4aR,9aS)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid (CHEBI:122875) is a furopyran (CHEBI:74927) Manual Xref Database LSM-34318 LINCS View more database links