8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quino (Q27464682)

CID71741442 (English)

retrieved

19 October 2016

chemical formula

C₆₈H₆₄N₁₂O₁₆S

1 reference

CID71741442 (English)

retrieved

19 October 2016

canonical SMILES

CC(C)COC1=CC(=NC2=C1C=CC=C2NC(=O)NCCCCOC3=CC=CC(=C3)CNC(=O)C4=CC=C(C=C4)S(=O)(=O)N)C(=O)NC5=CC=CC6=C5N=C(C=C6O)C(=O)NC7=CC=CC8=C7N=C(C=C8OCCCN)C(=O)NC9=CC=CC1=C9N=C(C=C1OCC(=O)O)C(=O)O

1 reference

InChI=1S/C68H64N12O16S/c1-37(2)35-95-56-32-52(75-62-44(56)16-9-20-49(62)80-68(90)71-26-3-4-27-93-40-12-5-11-38(29-40)34-72-63(84)39-21-23-41(24-22-39)97(70,91)92)66(87)77-46-17-6-13-42-54(81)30-50(73-59(42)46)64(85)78-47-18-7-14-43-55(94-28-10-25-69)31-51(74-60(43)47)65(86)79-48-19-8-15-45-57(96-36-58(82)83)33-53(67(88)89)76-61(45)48/h5-9,11-24,29-33,37H,3-4,10,25-28,34-36,69H2,1-2H3,(H,72,84)(H,73,81)(H,77,87)(H,78,85)(H,79,86)(H,82,83)(H,88,89)(H2,70,91,92)(H2,71,80,90)

CID71741442 (English)

retrieved

19 October 2016

Identifiers

InChI

1 reference

based on heuristic

inferred from SMILES

InChIKey

QYOLDZJQZAEMKE-UHFFFAOYSA-N

1 reference

CID71741442 (English)

19 October 2016

1 reference

8-({[4-(3-Aminopropoxy)-8-({[4-hydroxy-8-({[4-isobutoxy-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolin (English)

19 October 2016

1 reference