N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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 (Q27223883)

MLS002473999 (English)

N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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

12 October 2016

stereoisomer of

2 references

N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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

N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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

N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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

N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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

N-[(2R,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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

C₂₆H₃₄F₃N₅O₆

1 reference

MLS002473999 (English)

12 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)OC1CN(C)C(=O)NC3=C(ON=C3C)C)C(C)CO

1 reference

MLS002473999 (English)

12 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)NC3=C(ON=C3C)C)[C@H](C)CO

1 reference

MLS002473999 (English)

InChI=1S/C26H34F3N5O6/c1-14-11-34(15(2)13-35)24(37)19-10-18(30-22(36)8-9-26(27,28)29)6-7-20(19)39-21(14)12-33(5)25(38)31-23-16(3)32-40-17(23)4/h6-7,10,14-15,21,35H,8-9,11-13H2,1-5H3,(H,30,36)(H,31,38)/t14-,15+,21+/m0/s1

12 October 2016

Identifiers

InChI

1 reference

MLS002473999 (English)

BNEDOCMZXPXXCZ-PDSXEYIOSA-N

12 October 2016

InChIKey

2 references

MLS002473999 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{(2S,3S)-2-({[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl](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)

12 October 2016

1 reference

MLS002473999 (English)

12 October 2016

ChEBI ID

130146

mapping relation type

1 reference

N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-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)

12 October 2016

1 reference