Icatibant Acetate

Iupac Name

(S)-2-((2S,3aS,7aS)-1-((R)-2-((S)-2-((S)-2-(2-((2S,4R)-1-((S)-1-((S)-2-((R)-2-amino-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanamido)-3-hydroxypropanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carboxamido)-5-guanidinopentanoic acid compound with acetic acid (1:1)

Inchi Code

1S/C59H89N19O13S.C2H4O2/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66;1-2(3)4/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69);1H3,(H,3,4)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+;/m0./s1

InChI key

HKMZRZUEADSZDQ-DZJWSCHMSA-N