N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (Q27224743)

CHEMBL3186447 (English)

N-[[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

12 October 2016

stereoisomer of

1 reference

N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

1 reference

N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

1 reference

N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

1 reference

chemical formula

C₃₈H₄₇F₃N₄O₆

1 reference

CHEMBL3186447 (English)

12 October 2016

canonical SMILES

CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(C)CO)C)CN(C)C(=O)CC4=CC=CC=C4

1 reference

CHEMBL3186447 (English)

12 October 2016

isomeric SMILES

C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)C(=O)CC4=CC=CC=C4

1 reference

CHEMBL3186447 (English)

InChI=1S/C38H47F3N4O6/c1-25-22-45(26(2)24-46)36(48)32-21-31(43-37(49)42-30-15-13-29(14-16-30)38(39,40)41)17-18-33(32)51-27(3)10-8-9-19-50-34(25)23-44(4)35(47)20-28-11-6-5-7-12-28/h5-7,11-18,21,25-27,34,46H,8-10,19-20,22-24H2,1-4H3,(H2,42,43,49)/t25-,26+,27-,34-/m0/s1

12 October 2016

Identifiers

InChI

1 reference

CHEMBL3186447 (English)

UTVLUISVXZSARP-FBTROWELSA-N

12 October 2016

InChIKey

2 references

CHEMBL3186447 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-{[(2S,8R,9S)-11-[(2R)-1-Hydroxy-2-propanyl]-2,9-dimethyl-12-oxo-14-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)-3,4,5,6,9,10,11,12-octahydro-2H,8H-1,7,11-benzodioxazacyclotetradecin-8-yl]methyl}-N- (English)

12 October 2016

2 references

CHEMBL3186447 (English)

matched by identifier from

12 October 2016

InChIKey

UTVLUISVXZSARP-FBTROWELSA-N

ChEBI ID

130959

mapping relation type

2 references

N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (English)