BIOTIN-DYNORPHIN A (1-17)

pro_cas
pro_cdbregno
CCD00660066
pro_formula
C109 H169 N33 O25 S
pro_molWeight
2373.81

basic_info

Product_Name: BIOTIN-DYNORPHIN A (1-17)
EnglishSynonyms: BIOTIN-TYR-GLY-GLY-PHE-LEU-ARG-ARG-ILE-ARG-PRO-LYS-LEU-LYS-TRP-ASP-ASN-GLN-OH ; BIOTIN-YGGFLRRIRPKLKWDNQ ; BIOTIN-DYNORPHIN A (1-17)
pro_mdlNumber: MFCD08459375
pro_acceptors: 58
pro_donors: 35
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)N)C(=O)O)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)CNC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7
InChi: InChI=1S/C109H169N33O25S/c1-7-60(6)89(140-96(156)70(30-20-44-121-107(116)117)129-93(153)69(29-19-43-120-106(114)115)131-98(158)75(48-59(4)5)136-99(159)77(49-61-23-9-8-10-24-61)128-87(148)56-124-86(147)55-125-92(152)76(50-62-35-37-64(143)38-36-62)127-84(145)34-14-13-33-82-90-80(57-168-82)139-109(167)141-90)103(163)133-71(31-21-45-122-108(118)119)104(164)142-46-22-32-81(142)102(162)132-68(28-16-18-42-111)95(155)135-74(47-58(2)3)97(157)130-67(27-15-17-41-110)94(154)137-78(51-63-54-123-66-26-12-11-25-65(63)66)100(160)138-79(53-88(149)150)101(161)134-73(91(113)151)52-85(146)126-72(105(165)166)39-40-83(112)144/h8-12,23-26,35-38,54,58-60,67-82,89-90,123,143H,7,13-22,27-34,39-53,55-57,110-111H2,1-6H3,(H2,112,144)(H2,113,151)(H,124,147)(H,125,152)(H,126,146)(H,127,145)(H,128,148)(H,129,153)(H,130,157)(H,131,158)(H,132,162)(H,133,163)(H,134,161)(H,135,155)(H,136,159)(H,137,154)(H,138,160)(H,140,156)(H,149,150)(H,165,166)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)(H2,139,141,167)/t60-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,89-,90-/m0/s1
InChiKey: InChIKey=NRIHPULITITWEF-SNOYRRJYSA-N

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