AC-SER-GLY-ARG-GLY-LYS-GLY-GLY-LYS-GLY-LEU-GLY-LYS-GLY-GLY-ALA-LYS-ARG-HIS-ARG-LYS-VAL-OH TRIFLUOROACETATE SALT

pro_cas
pro_cdbregno
CCD07546784
pro_formula
C89 H161 N37 O24 . C2 H F3 O2
pro_molWeight
2247.51

basic_info

Product_Name: AC-SER-GLY-ARG-GLY-LYS-GLY-GLY-LYS-GLY-LEU-GLY-LYS-GLY-GLY-ALA-LYS-ARG-HIS-ARG-LYS-VAL-OH TRIFLUOROACETATE SALT
EnglishSynonyms: AC-SER-GLY-ARG-GLY-LYS-GLY-GLY-LYS-GLY-LEU-GLY-LYS-GLY-GLY-ALA-LYS-ARG-HIS-ARG-LYS-VAL-OH TRIFLUOROACETATE SALT ; AC-SGRGKGGKGLGKGGAKRHRKV TRIFLUOROACETATE SALT ; ACH4-21 TRIFLUOROACETATE SALT
pro_mdlNumber: MFCD22666389
pro_acceptors: 61
pro_donors: 38
pro_smile: CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)C.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C89H161N37O24.C2HF3O2/c1-49(2)36-62(120-72(136)46-110-77(140)56(22-9-14-30-92)116-68(132)42-106-66(130)40-108-75(138)54(20-7-12-28-90)117-69(133)43-109-78(141)57(25-17-33-102-87(95)96)119-71(135)45-112-80(143)64(47-127)115-52(6)128)79(142)111-44-70(134)118-55(21-8-13-29-91)76(139)107-39-65(129)105-41-67(131)114-51(5)74(137)121-58(23-10-15-31-93)81(144)123-61(27-19-35-104-89(99)100)83(146)125-63(37-53-38-101-48-113-53)85(148)124-60(26-18-34-103-88(97)98)82(145)122-59(24-11-16-32-94)84(147)126-73(50(3)4)86(149)150;3-2(4,5)1(6)7/h38,48-51,54-64,73,127H,7-37,39-47,90-94H2,1-6H3,(H,101,113)(H,105,129)(H,106,130)(H,107,139)(H,108,138)(H,109,141)(H,110,140)(H,111,142)(H,112,143)(H,114,131)(H,115,128)(H,116,132)(H,117,133)(H,118,134)(H,119,135)(H,120,136)(H,121,137)(H,122,145)(H,123,144)(H,124,148)(H,125,146)(H,126,147)(H,149,150)(H4,95,96,102)(H4,97,98,103)(H4,99,100,104);(H,6,7)/t51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,73-;/m0./s1
InChiKey: InChIKey=VZHNVFHXJURZNR-FRXTWSJPSA-N

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