CHEBI:101075 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide

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ChEBI Name 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide
ChEBI ID CHEBI:101075
Stars This entity has been manually annotated by a third party.
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Formula C21H36N2O5
Net Charge 0
Average Mass 396.522
Monoisotopic Mass 396.26242
InChI InChI=1S/C21H36N2O5/c24-17-12-23(11-16-5-7-26-8-6-16)19-4-3-18(28-20(19)14-27-13-17)9-21(25)22-10-15-1-2-15/h15-20,24H,1-14H2,(H,22,25)/t17-,18-,19-,20+/m1/s1
InChIKey NCINSYYDRJCYKJ-WTGUMLROSA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2CC3CCOCC3)O)O[C@H]1CC(=O)NCC4CC4
ChEBI Ontology
Outgoing 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-oxanylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclopropylmethyl)acetamide (CHEBI:101075) is a oxanes (CHEBI:46942)
Manual Xref Database
LSM-12447 LINCS
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