LYS-BRADYKININ-SER-VAL-GLN-VAL-SER

pro_cas
pro_cdbregno
CCD00107781
pro_formula
C77 H121 N23 O20
pro_molWeight
1688.94

basic_info

Product_Name: LYS-BRADYKININ-SER-VAL-GLN-VAL-SER
EnglishSynonyms: LYS-BRADYKININ-SER-VAL-GLN-VAL-SER ; H-LYS-ARG-PRO-PRO-GLY-PHE-SER-PRO-PHE-ARG-SER-VAL-GLN-VAL-SER-OH
pro_mdlNumber: MFCD00236891
pro_acceptors: 43
pro_donors: 24
pro_smile: CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)N
InChi: InChI=1S/C77H121N23O20/c1-42(2)60(70(114)90-48(28-29-58(80)104)64(108)96-61(43(3)4)71(115)95-54(41-103)75(119)120)97-67(111)52(39-101)93-63(107)47(23-13-31-85-76(81)82)89-66(110)51(37-45-20-9-6-10-21-45)92-69(113)56-26-16-33-98(56)73(117)53(40-102)94-65(109)50(36-44-18-7-5-8-19-44)88-59(105)38-87-68(112)55-25-15-34-99(55)74(118)57-27-17-35-100(57)72(116)49(24-14-32-86-77(83)84)91-62(106)46(79)22-11-12-30-78/h5-10,18-21,42-43,46-57,60-61,101-103H,11-17,22-41,78-79H2,1-4H3,(H2,80,104)(H,87,112)(H,88,105)(H,89,110)(H,90,114)(H,91,106)(H,92,113)(H,93,107)(H,94,109)(H,95,115)(H,96,108)(H,97,111)(H,119,120)(H4,81,82,85)(H4,83,84,86)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1
InChiKey: InChIKey=FPGBISXONJUDFR-HGCYLXBDSA-N

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