methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate (Q27462989)

CHEMBL3086264 (English)

19 October 2016

chemical formula

C₃₇H₅₂BrN₅O₆

1 reference

CHEMBL3086264 (English)

19 October 2016

canonical SMILES

CC(C)(C)C1C(=O)NCC=CCC2=CC=C(CC(C(=O)N1)(CCCN(CC3=CC=C(C=C3)Br)NC(=O)C(C(C)(C)C)NC(=O)OC)O)C=C2

1 reference

CHEMBL3086264 (English)

19 October 2016

isomeric SMILES

CC(C)(C)[C@H]1C(=O)NC/C=C\CC2=CC=C(C[C@@](C(=O)N1)(CCCN(CC3=CC=C(C=C3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)C=C2

1 reference

CHEMBL3086264 (English)

InChI=1S/C37H52BrN5O6/c1-35(2,3)29-31(44)39-21-9-8-11-25-12-14-26(15-13-25)23-37(48,33(46)40-29)20-10-22-43(24-27-16-18-28(38)19-17-27)42-32(45)30(36(4,5)6)41-34(47)49-7/h8-9,12-19,29-30,48H,10-11,20-24H2,1-7H3,(H,39,44)(H,40,46)(H,41,47)(H,42,45)/b9-8-/t29-,30-,37-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3086264 (English)

SFNMYSUIYNOTIA-HIOXXDBGSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3086264 (English)

19 October 2016

1 reference

Methyl {(2S)-1-[2-(4-bromobenzyl)-2-{3-[(3R,6S,10Z)-3-hydroxy-6-(2-methyl-2-propanyl)-4,7-dioxo-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl}hydrazino]-3,3-dimethyl-1-oxo-2-but (English)

19 October 2016

2 references