H-LYS-ARG-PRO-ALA-GLY-PHE-SER-PRO-PHE-ARG-OH ACETATE SALT

pro_cas
pro_cdbregno
CCD04458626
pro_formula
C54 H83 N17 O12 . C2 H4 O2
pro_molWeight
1222.41

basic_info

Product_Name: H-LYS-ARG-PRO-ALA-GLY-PHE-SER-PRO-PHE-ARG-OH ACETATE SALT
EnglishSynonyms: H-LYS-ARG-PRO-ALA-GLY-PHE-SER-PRO-PHE-ARG-OH ACETATE SALT ; LYS-(ALA3)-BRADYKININ ACETATE SALT
pro_mdlNumber: MFCD18782508
pro_acceptors: 29
pro_donors: 17
pro_smile: C[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N.CC(=O)O
InChi: InChI=1S/C54H83N17O12.C2H4O2/c1-32(64-48(78)41-21-12-26-70(41)50(80)36(19-10-24-61-53(57)58)66-45(75)35(56)18-8-9-23-55)44(74)63-30-43(73)65-38(28-33-14-4-2-5-15-33)46(76)69-40(31-72)51(81)71-27-13-22-42(71)49(79)68-39(29-34-16-6-3-7-17-34)47(77)67-37(52(82)83)20-11-25-62-54(59)60;1-2(3)4/h2-7,14-17,32,35-42,72H,8-13,18-31,55-56H2,1H3,(H,63,74)(H,64,78)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,76)(H,82,83)(H4,57,58,61)(H4,59,60,62);1H3,(H,3,4)/t32-,35-,36-,37-,38-,39-,40-,41-,42-;/m0./s1
InChiKey: InChIKey=YCMCBRJLKGFJJY-XYWKXRCJSA-N

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