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HOE 140

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Name： HOE 140
CAS： 130308-48-4
Synonyms： H-D-ARG-ARG-PRO-HYP-GLY-THI-SER-D-TIC-OIC-ARG-OH ; ICATIBANT ; RRP-(HYP)-G-(THI)-S-(D-TIC)-(OIC)-R ; HOE I40 ; [DES-ARG10]-HOE 140 ; D-ARG-ARG-PRO-HYP-GLY-THI-SER-D-TIC-OIC-ARG ; D-ARG-L-ARG-L-PRO-L-HYP-GLY-L-(2-THIENYL)ALA-L-SER-D-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBONYL-L-(2ALPHA,3BETA,7ABETA)-OCTAHYDRO-1H-INDOLE-2-CARBONYL-L-ARG ; D-ARG-L-ARG-L-PROLYL-L-HYP-GLY-L-(2-THIENYL)ALA-L-SER-D-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBONYL-L-(2ALPHA,3BETA,7ABETA)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID ; HOE 140 ; D-ARGINYL-[HYP3, THI5, D-TIC7, OIC8]-BRADYKININ ; ARG-ARG-PRO-HYP-GLY-THI-SER-TIC-OIC-ARG ; D-ARG-ARG-PRO-HYP-GLY-THI-SER-D-TIC-OIC ; ICATIBANT ACETATE
MDL.： MFCD00213940
H bond acceptor： 32
H bond donor： 18
Smile： c1ccc2c(c1)C[C@@H](N(C2)C(=O)[C@H](CO)NC(=O)[C@H](Cc3cccs3)NC(=O)CNC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)N)O)C(=O)N6[C@H]7CCCC[C@H]7C[C@H]6C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
InChi： InChI=1S/C59H89N19O13S/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/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)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
InChiKey： InChIKey=QURWXBZNHXJZBE-SKXRKSCCSA-N

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WGK Germany： 3

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