N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (Q27213841)

MLS002474011 (English)

N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

2 references

inferred from InChIKey

N-[(2S,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

2 references

inferred from InChIKey

N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

1 reference

N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

1 reference

chemical formula

C₂₇H₃₉F₃N₄O₅

1 reference

MLS002474011 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)OC1CN(C)C(=O)NC3CCCCC3)C(C)CO

1 reference

MLS002474011 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)C(=O)NC3CCCCC3)[C@H](C)CO

1 reference

MLS002474011 (English)

InChI=1S/C27H39F3N4O5/c1-17-14-34(18(2)16-35)25(37)21-13-20(31-24(36)11-12-27(28,29)30)9-10-22(21)39-23(17)15-33(3)26(38)32-19-7-5-4-6-8-19/h9-10,13,17-19,23,35H,4-8,11-12,14-16H2,1-3H3,(H,31,36)(H,32,38)/t17-,18+,23+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

MLS002474011 (English)

TZWYYOCTWDTYLD-YZZKKUAISA-N

11 October 2016

InChIKey

2 references

MLS002474011 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2S,3S)-2-{[(Cyclohexylcarbamoyl)(methyl)amino]methyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-8-yl}-4,4,4-trifluorobutanamide (English)

11 October 2016

1 reference

MLS002474011 (English)

11 October 2016

ChEBI ID

123919

mapping relation type

1 reference

N-[(2S,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide (English)

11 October 2016

1 reference