2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide (Q27224711)

MLS003650115 (English)

2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide

12 October 2016

stereoisomer of

2 references

inferred from InChIKey

2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide

2 references

inferred from InChIKey

2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide

1 reference

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide

1 reference

chemical formula

C₂₆H₃₀ClF₃N₂O₄

1 reference

MLS003650115 (English)

12 October 2016

canonical SMILES

C1CC2C(COCC(CN2CC3=CC(=CC=C3)C(F)(F)F)O)OC1CC(=O)NCC4=CC=C(C=C4)Cl

1 reference

MLS003650115 (English)

12 October 2016

isomeric SMILES

C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=CC(=CC=C3)C(F)(F)F)O)O[C@@H]1CC(=O)NCC4=CC=C(C=C4)Cl

1 reference

MLS003650115 (English)

InChI=1S/C26H30ClF3N2O4/c27-20-6-4-17(5-7-20)12-31-25(34)11-22-8-9-23-24(36-22)16-35-15-21(33)14-32(23)13-18-2-1-3-19(10-18)26(28,29)30/h1-7,10,21-24,33H,8-9,11-16H2,(H,31,34)/t21-,22+,23-,24+/m1/s1

12 October 2016

Identifiers

InChI

1 reference

MLS003650115 (English)

MKZVTDJRJDFKFH-QPXUXIHVSA-N

12 October 2016

InChIKey

2 references

MLS003650115 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-(4-Chlorobenzyl)-2-{(3R,6aR,8S,10aR)-3-hydroxy-1-[3-(trifluoromethyl)benzyl]decahydropyrano[2,3-c][1,5]oxazocin-8-yl}acetamide (English)

12 October 2016

1 reference

MLS003650115 (English)

12 October 2016

ChEBI ID

130927

mapping relation type

1 reference

2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide (English)

12 October 2016

1 reference