(Q27456733)

1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea (English)

19 October 2016

chemical formula

C₂₄H₃₂N₄O₂S₂

1 reference

1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea (English)

19 October 2016

canonical SMILES

CSCCC(C(=O)N1CCCC1C2=CC=CC=C2SC)NC(=O)NCC3=CC=C(C=C3)N

1 reference

1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea (English)

19 October 2016

isomeric SMILES

CSCC[C@@H](C(=O)N1CCC[C@@H]1C2=CC=CC=C2SC)NC(=O)NCC3=CC=C(C=C3)N

1 reference

1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea (English)

InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)/t20-,21+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea (English)

SXQHCTVKKRKZEF-LEWJYISDSA-N

19 October 2016

InChIKey

1 reference

1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea (English)

19 October 2016

1 reference

1-(4-Aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]-1-pyrrolidinyl}-1-oxo-2-butanyl]urea (English)

19 October 2016

2 references

1-(4-Aminobenzyl)-3-[(2s)-4-(Methylsulfanyl)-1-{(2r)-2-[2-(Methylsulfanyl)phenyl]pyrrolidin-1-Yl}-1-Oxobutan-2-Yl]urea (English)

matched by identifier from

19 October 2016

InChIKey

SXQHCTVKKRKZEF-LEWJYISDSA-N

1 reference

0 references

1 reference

4ZSD (English)

19 October 2016

1 reference

4J5C (English)