N-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R,4R)-4-phenoxypyrrolidin-2-yl]ethyl}-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide (Q27465299)

CHEMBL403195 (English)

19 October 2016

chemical formula

C₃₄H₃₉F₂N₃O₅

1 reference

CHEMBL403195 (English)

19 October 2016

canonical SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(C3CC(CN3)OC4=CC=CC=C4)O)C(=O)N5CCCC5COC

1 reference

CHEMBL403195 (English)

19 October 2016

isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H]([C@H]3C[C@H](CN3)OC4=CC=CC=C4)O)C(=O)N5CCC[C@@H]5COC

1 reference

CHEMBL403195 (English)

InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL403195 (English)

KYHYNSQLYDXSNK-MXWGZHRFSA-N

19 October 2016

InChIKey

1 reference

CHEMBL403195 (English)

19 October 2016

1 reference

N-{(1R,2S)-3-(3,5-Difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenoxy-2-pyrrolidinyl]-2-propanyl}-3-{[(2R)-2-(methoxymethyl)-1-pyrrolidinyl]carbonyl}-5-methylbenzamide (English)

19 October 2016

2 references