CHEBI:101656 - (3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

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ChEBI Name (3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:101656
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H34N4O6
Net Charge 0
Average Mass 498.572
Monoisotopic Mass 498.24783
InChI InChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21-,22-,23+/m1/s1
InChIKey SVQJPVUULHSFBY-ODAXIHTASA-N
SMILES CC1=C(C(=NO1)C)NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC5=CC=CC=C5C4)O
ChEBI Ontology
Outgoing (3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:101656) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-13019 LINCS
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