CHEBI:122999 - 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide

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ChEBI Name 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide
ChEBI ID CHEBI:122999
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H33N3O5
Net Charge 0
Average Mass 467.558
Monoisotopic Mass 467.24202
InChI InChI=1S/C26H33N3O5/c1-16(17-7-5-4-6-8-17)27-24(31)13-19-12-21-20-11-18(28-25(32)14-29(2)3)9-10-22(20)34-26(21)23(15-30)33-19/h4-11,16,19,21,23,26,30H,12-15H2,1-3H3,(H,27,31)(H,28,32)/t16-,19+,21+,23-,26-/m1/s1
InChIKey DDTMCUFVLBWJID-VXNXIIOGSA-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)CN(C)C
ChEBI Ontology
Outgoing 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1R)-1-phenylethyl]acetamide (CHEBI:122999) is a amino acid amide (CHEBI:22475)
Manual Xref Database
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