N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (Q27218872)

MLS002473890 (English)

N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

11 October 2016

stereoisomer of

2 references

inferred from InChIKey

N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

2 references

inferred from InChIKey

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

2 references

inferred from InChIKey

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

1 reference

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

1 reference

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

1 reference

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

1 reference

chemical formula

C₃₂H₃₅F₃N₄O₅

1 reference

MLS002473890 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)OC1CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C(C)CO

1 reference

MLS002473890 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO

1 reference

MLS002473890 (English)

InChI=1S/C32H35F3N4O5/c1-20-17-39(21(2)19-40)30(42)26-16-25(36-29(41)15-22-7-5-4-6-8-22)13-14-27(26)44-28(20)18-38(3)31(43)37-24-11-9-23(10-12-24)32(33,34)35/h4-14,16,20-21,28,40H,15,17-19H2,1-3H3,(H,36,41)(H,37,43)/t20-,21+,28+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

MLS002473890 (English)

PRDAOTFPZPBVJB-BALWLHIASA-N

11 October 2016

InChIKey

2 references

MLS002473890 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

11 October 2016

1 reference

MLS002473890 (English)

11 October 2016

ChEBI ID

126793

mapping relation type

1 reference

N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (English)

11 October 2016

1 reference