CHEBI:110374 - 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide

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ChEBI Name 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
ChEBI ID CHEBI:110374
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28N2O6
Net Charge 0
Average Mass 404.458
Monoisotopic Mass 404.19474
InChI InChI=1S/C21H28N2O6/c1-27-11-20(26)23-13-4-5-17-15(6-13)16-7-14(28-18(10-24)21(16)29-17)8-19(25)22-9-12-2-3-12/h4-6,12,14,16,18,21,24H,2-3,7-11H2,1H3,(H,22,25)(H,23,26)/t14-,16-,18+,21+/m0/s1
InChIKey IMUPCUMLIPIWQW-XYPVVTQSSA-N
SMILES COCC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4CC4
ChEBI Ontology
Outgoing 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:110374) is a furopyran (CHEBI:74927)
Manual Xref Database
LSM-21823 LINCS
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