Chem
J-GLOBAL ID:200907077478076790   Nikkaji number:J882.553J

ω-Conotoxin MVIIA【oxidized】

ω-コノトキシンMVIIA【酸化型】
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C102H172N36O32S7
Molecular formula furigana: C102-H172-N36-O32-S7
Molecular weight: 2639.140
InChI: InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)
InChI key: BPKIMPVREBSLAJ-UHFFFAOYSA-N
SMILES: CSCCC1NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C2CSSCC3NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(CSSCC(N)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(C)C(=O)NC(CCCCN)C(=O)N2)NC(=O)C(CSSCC(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC3=O)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccc(O)cc2)NC1=O)C(C)O
Systematic name  (3):
  • L-Cys(1)-L-Lys-Gly-L-Lys-Gly-L-Ala-L-Lys-L-Cys(2)-L-Ser-L-Arg-L-Leu-L-Met-L-Tyr-L-Asp-L-Cys(3)-L-Cys(1)-L-Thr-Gly-L-Ser-L-Cys(2)-L-Arg-L-Ser-Gly-L-Lys-L-Cys(3)-NH2
  • 2-[63-アミノ-13,45,54,60-テトラキス(4-アミノブチル)-4,36-ビス(3-カルバムイミドアミドプロピル)-16-カルバモイル-71-(1-ヒドロキシエチル)-7,39,77-トリス(ヒドロキシメチル)-27-[(4-ヒドロキシフェニル)メチル]-48-メチル-33-(2-メチルプロピル)-30-[2-(メチルスルファニル)エチル]-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-テトラコサオキソ-18,19,65,66,81,82-ヘキサチア-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-テトラコサアザトリシクロ[40.37.4.221,68]ペンタオクタコンタン-24-イル]酢酸
  • 2-[63-amino-13,45,54,60-tetrakis(4-aminobutyl)-4,36-bis(3-carbamimidamidopropyl)-16-carbamoyl-71-(1-hydroxyethyl)-7,39,77-tris(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-48-methyl-33-(2-methylpropyl)-30-[2-(methylsulfanyl)ethyl]-2,5,8,11,14,23,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,85-tetracosaoxo-18,19,65,66,81,82-hexathia-3,6,9,12,15,22,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,84-tetracosaazatricyclo[40.37.4.221,68]pentaoctacontan-24-yl]acetic acid
Other name (2):
  • ω-コノトキシンMVIIA【酸化型】
  • ω-Conotoxin MVIIA【oxidized】
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