methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate (Q27460032)

CID78226003 (English)

19 October 2016

chemical formula

C₃₆H₅₂BrN₅O₆

1 reference

CID78226003 (English)

19 October 2016

canonical SMILES

CC(C)(C)C(C(=O)NCC=C)NC(=O)C(CCCN(CC1=CC=C(C=C1)Br)NC(=O)C(C(C)(C)C)NC(=O)OC)(CC2=CC=CC=C2)O

1 reference

CID78226003 (English)

19 October 2016

isomeric SMILES

CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(CC1=CC=C(C=C1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(CC2=CC=CC=C2)O

1 reference

CID78226003 (English)

InChI=1S/C36H52BrN5O6/c1-9-21-38-30(43)28(34(2,3)4)39-32(45)36(47,23-25-14-11-10-12-15-25)20-13-22-42(24-26-16-18-27(37)19-17-26)41-31(44)29(35(5,6)7)40-33(46)48-8/h9-12,14-19,28-29,47H,1,13,20-24H2,2-8H3,(H,38,43)(H,39,45)(H,40,46)(H,41,44)/t28-,29-,36-/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CID78226003 (English)

SCBLWEFHRVDOAJ-DFNFTQNPSA-N

19 October 2016

InChIKey

1 reference

CID78226003 (English)

19 October 2016

1 reference

N-Allyl-N~2~-{(2R)-2-benzyl-5-[1-(4-bromobenzyl)-2-{(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanoyl}hydrazino]-2-hydroxypentanoyl}-3-methyl-L-valinamide (English)

19 October 2016

2 references