4-fluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide (Q27187569)

MLS002474273 (English)

4-fluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

10 October 2016

stereoisomer of

2 references

4-fluoro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

2 references

4-fluoro-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

2 references

4-fluoro-N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

2 references

4-fluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

2 references

chemical formula

C₂₂H₂₈FN₃O₅S

1 reference

MLS002474273 (English)

10 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)OC1CNC)C(C)CO

1 reference

MLS002474273 (English)

10 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H]1CNC)[C@H](C)CO

1 reference

MLS002474273 (English)

InChI=1S/C22H28FN3O5S/c1-14-12-26(15(2)13-27)22(28)18-5-4-6-19(21(18)31-20(14)11-24-3)25-32(29,30)17-9-7-16(23)8-10-17/h4-10,14-15,20,24-25,27H,11-13H2,1-3H3/t14-,15+,20+/m0/s1

10 October 2016

Identifiers

InChI

1 reference

MLS002474273 (English)

RAWZADNKXQBMBA-BXTJHSDWSA-N

10 October 2016

InChIKey

2 references

MLS002474273 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-Fluoro-N-{(2S,3S)-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-2-[(methylamino)methyl]-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-10-yl}benzenesulfonamide (English)

10 October 2016

1 reference

MLS002474273 (English)

10 October 2016

ChEBI ID

108635

mapping relation type

1 reference

4-fluoro-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide (English)

10 October 2016

1 reference