CHEBI:110261 - N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide

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ChEBI Name N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
ChEBI ID CHEBI:110261
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H32N2O5
Net Charge 0
Average Mass 464.554
Monoisotopic Mass 464.23112
InChI InChI=1S/C27H32N2O5/c1-16(18-5-3-2-4-6-18)28-26(32)14-20-13-22-21-12-19(29-25(31)11-17-7-8-17)9-10-23(21)34-27(22)24(15-30)33-20/h2-6,9-10,12,16-17,20,22,24,27,30H,7-8,11,13-15H2,1H3,(H,28,32)(H,29,31)/t16-,20-,22-,24-,27+/m0/s1
InChIKey JUGVVXKOEIJUBH-MUNIKWPXSA-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)CC5CC5
ChEBI Ontology
Outgoing N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide (CHEBI:110261) is a furopyran (CHEBI:74927)
Manual Xref Database
LSM-21710 LINCS
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