1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea (Q27167139)

MLS002474333 (English)

1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

10 October 2016

stereoisomer of

2 references

1-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

2 references

1-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

1 reference

1-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

2 references

1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

1 reference

1-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea

1 reference

chemical formula

C₃₀H₃₃F₃N₄O₆S

1 reference

MLS002474333 (English)

10 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)OC1CN(C)S(=O)(=O)C4=CC=CC=C4)C(C)CO

1 reference

MLS002474333 (English)

10 October 2016

isomeric SMILES

C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4)[C@H](C)CO

1 reference

MLS002474333 (English)

InChI=1S/C30H33F3N4O6S/c1-19-16-37(20(2)18-38)28(39)25-15-23(35-29(40)34-22-11-9-21(10-12-22)30(31,32)33)13-14-26(25)43-27(19)17-36(3)44(41,42)24-7-5-4-6-8-24/h4-15,19-20,27,38H,16-18H2,1-3H3,(H2,34,35,40)/t19-,20-,27+/m1/s1

10 October 2016

Identifiers

InChI

1 reference

MLS002474333 (English)

PEHWLDDZWQGNOT-DVHCVUMVSA-N

10 October 2016

InChIKey

2 references

MLS002474333 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{[(2R,3R)-5-[(2R)-1-Hydroxy-2-propanyl]-3-methyl-6-oxo-8-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)-3,4,5,6-tetrahydro-2H-1,5-benzoxazocin-2-yl]methyl}-N-methylbenzenesulfonamide (English)

10 October 2016

2 references

MLS002474333 (English)

matched by identifier from

10 October 2016

InChIKey

PEHWLDDZWQGNOT-DVHCVUMVSA-N

ChEBI ID

95284

mapping relation type

2 references

1-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-[4-(trifluoromethyl)phenyl]urea (English)