E339-3D6 (Q27077140)

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCCC(C(=O)NC(CC5=C[N+](=CN5C)CC6=CC=CC=C6)C(=O)NC7CC[NH+](CC7)C)NC(=O)CC8=CSC(=N)[NH+]8C)S(=O)(=O)O.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

1 reference

stated in

PubChem

PubChem CID

73755182

language of work or name

GTPL6187 (English)

3 October 2016

CCN(CC)C1=CC=C2C(=C1)OC3=CC(=[N+](CC)CC)C=CC3=C2C4=CC=C(C=C4S(=O)(=O)[O-])S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC5=CN(C=[N+]5C)CC6=CC=CC=C6)C(=O)NC7CC[NH+](CC7)C)NC(=O)CC8=CSC(=N)[NH+]8C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

1 reference

language of work or name

English

title

N~6~-({12-[({4-[6-(Diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]-3-sulfonatophenyl}sulfonyl)amino]dodecyl}carbamoyl)-N~2~-[(2-imino-3-methyl-2,3-dihydro-1,3-thiazol-3-ium-4-yl)acetyl]-L-lysyl-3-(1- (English)

retrieved

3 October 2016

Identifiers

InChI

InChI=1S/C72H101N13O10S3.3C2HF3O2/c1-8-84(9-2)54-30-33-59-64(44-54)95-65-45-55(85(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)98(92,93)94)97(90,91)76-40-25-19-17-15-13-12-14-16-18-24-38-74-72(89)75-39-26-23-29-62(78-67(86)46-57-50-96-71(73)82(57)7)69(87)79-63(70(88)77-53-36-41-80(5)42-37-53)43-56-49-83(51-81(56)6)48-52-27-21-20-22-28-52;3*3-2(4,5)1(6)7/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73,76H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,77,78,79,86,87,88,89,92,93,94);3*(H,6,7)/t62-,63-;;;/m0.../s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

SEZVZMIKECAWEG-UHFFFAOYSA-O

1 reference

language of work or name

GTPL6187 (English)

3 October 2016

1 reference

language of work or name

English

title

N~6~-({12-[({4-[6-(Diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]-3-sulfonatophenyl}sulfonyl)amino]dodecyl}carbamoyl)-N~2~-[(2-imino-3-methyl-2,3-dihydro-1,3-thiazol-3-ium-4-yl)acetyl]-L-lysyl-3-(1- (English)

3 October 2016

2 references

language of work or name

English

title