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CHEBI:100028 - N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide

ChEBI IDCHEBI:100028
ChEBI NameN-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
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DownloadsMolfile
FormulaC30H30N2O7
Net Charge0
Average Mass530.577
Monoisotopic Mass530.20530
SMILESC[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1
InChIInChI=1S/C30H30N2O7/c1-17(18-5-3-2-4-6-18)31-28(34)14-21-13-23-22-12-20(8-10-24(22)39-29(23)27(15-33)38-21)32-30(35)19-7-9-25-26(11-19)37-16-36-25/h2-12,17,21,23,27,29,33H,13-16H2,1H3,(H,31,34)(H,32,35)/t17-,21+,23+,27-,29-/m1/s1
InChIKeyPKVMSJKEIKOOIO-VFVMRXBTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide (CHEBI:100028) is a furopyran (CHEBI:74927)
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