AC-ASP-GLY-ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYR(SO3H)-LEU-GLN-OH

pro_cas
pro_cdbregno
CCD00107947
pro_formula
C72 H100 N14 O32 S
pro_molWeight
1705.71

basic_info

Product_Name: AC-ASP-GLY-ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYR(SO3H)-LEU-GLN-OH
EnglishSynonyms: AC-ASP-GLY-ASP-PHE-GLU-GLU-ILE-PRO-GLU-GLU-TYR(SO3H)-LEU-GLN-OH ; ACETYL-HIRUDIN (53-65) (SULFATED) ; HIRUGEN
pro_mdlNumber: MFCD00237093
pro_acceptors: 46
pro_donors: 21
pro_smile: CC[C@@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)OS(=O)(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)C
InChi: InChI=1S/C72H100N14O32S/c1-6-36(4)60(85-65(106)44(22-27-57(96)97)78-62(103)41(19-24-54(90)91)79-67(108)47(30-38-11-8-7-9-12-38)84-69(110)50(33-59(100)101)76-53(89)34-74-61(102)49(32-58(98)99)75-37(5)87)71(112)86-28-10-13-51(86)70(111)80-43(21-26-56(94)95)63(104)77-42(20-25-55(92)93)64(105)83-48(31-39-14-16-40(17-15-39)118-119(115,116)117)68(109)82-46(29-35(2)3)66(107)81-45(72(113)114)18-23-52(73)88/h7-9,11-12,14-17,35-36,41-51,60H,6,10,13,18-34H2,1-5H3,(H2,73,88)(H,74,102)(H,75,87)(H,76,89)(H,77,104)(H,78,103)(H,79,108)(H,80,111)(H,81,107)(H,82,109)(H,83,105)(H,84,110)(H,85,106)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,113,114)(H,115,116,117)/t36-,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,60+/m1/s1
InChiKey: InChIKey=DEPIXTAAZOCKCV-REWSTJKWSA-N

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