L-精氨酰-L-alpha-天冬氨酰-(4R)-N-{(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-21,30-二(2-氨基-2-氧代乙基)-12-(3-氨基-3-氧代丙基)-9-仲丁基-6-氨基甲酰-48-(4-羟基苄基)-36-[(1R)-1-羟基乙基]-24-(羟基甲基)-45-(1H-咪唑-4-基甲基)-27-[2-(甲硫基)乙基]-8,11,14,20,23,26,29,32,35,38,44,47,50,52-十四氧代-3,4,55,56-四硫杂-7,10,13,19,22,25,28,31,34,37,43,46,49,51-十四氮杂四环[31.17.7.0^15,19.0^39,43]七十七碳-53-基}-4-羟基-L-脯氨酰胺
[CAS# 170663-33-9]

基本信息

• 产品名称: L-精氨酰-L-alpha-天冬氨酰-(4R)-N-{(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-21,30-二(2-氨基-2-氧代乙基)-12-(3-氨基-3-氧代丙基)-9-仲丁基-6-氨基甲酰-48-(4-羟基苄基)-36-[(1R)-1-羟基乙基]-24-(羟基甲基)-45-(1H-咪唑-4-基甲基)-27-[2-(甲硫基)乙基]-8,11,14,20,23,26,29,32,35,38,44,47,50,52-十四氧代-3,4,55,56-四硫杂-7,10,13,19,22,25,28,31,34,37,43,46,49,51-十四氮杂四环[31.17.7.0^15,19.0^39,43]七十七碳-53-基}-4-羟基-L-脯氨酰胺
• 英文名: L-Arginyl-L-alpha-Aspartyl-(4R)-N-{(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-21,30-Bis(2-Amino-2-Oxoethyl)-12-(3-Amino-3-Oxopropyl)-9-Sec-Butyl-6-Carbamoyl-48-(4-Hydroxybenzyl)-36-[(1 R)-1-Hydroxyethyl]-24-(Hydroxymethyl)-45-(1H-Imidazol-4-Ylmethyl)-27-[2-(Methylsulfanyl)Ethyl]-8,11,14,20,23,26,29,32,35,38,44,47,50,52-Tetradecaoxo-3,4,55,56-Tetrathia-7,10,13,19,22,25,28,31,34,37,43 ,46,49,51-Tetradecaazatetracyclo[31.17.7.0^15,19.0^39,43]Heptapentacont-53-Yl}-4-Hydroxy-L-Prolinamide
• 别名: a-Conotoxin EI; α-Conotoxin EI
• 分子式: C₈₃H₁₂₄N₂₇O₂₇S₅
• 分子量: 2093.37
• CAS 登录号: 170663-33-9
• 分子行输入简码 SMILES: CC[C@H](C)[C@H]1C(=O)N[C@@H](CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)N)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC(=O)N)CO)CCSC)CC(=O)N)[C@@H](C)O)CC6=CNC=N6)CC7=CC=C(C=C7)O)C(=O)N
• 国际化学标识码 InChI: 1S/C83H125N27O27S5/c1-5-37(2)63-78(133)102-52(65(88)120)32-139-140-33-53-72(127)96-46(23-39-12-14-41(113)15-13-39)69(124)99-48(24-40-29-91-36-93-40)80(135)109-21-8-11-57(109)76(131)107-64(38(3)112)79(134)105-55(35-142-141-34-54(74(129)103-53)104-77(132)58-25-42(114)30-110(58)82(137)50(28-62(118)119)98-66(121)43(84)9-6-19-92-83(89)90)73(128)97-47(26-60(86)116)70(125)94-45(18-22-138-4)67(122)101-51(31-111)71(126)100-49(27-61(87)117)81(136)108-20-7-10-56(108)75(130)95-44(68(123)106-63)16-17-59(85)115/h12-15,29,36-38,42-58,63-64,111-114H,5-11,16-28,30-35,84H2,1-4H3,(H2,85,115)(H2,86,116)(H2,87,117)(H2,88,120)(H,91,93)(H,94,125)(H,95,130)(H,96,127)(H,97,128)(H,98,121)(H,99,124)(H,100,126)(H,101,122)(H,102,133)(H,103,129)(H,104,132)(H,105,134)(H,106,123)(H,107,131)(H,118,119)(H4,89,90,92)/t37-,38+,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-,64-/m0/s1
• 国际化学标识检索码 InChIKey: ZUOKYBVKCMQKIN-MLWUHNSQSA-N

物理化学性质

• 密度: 1.7±0.1g/cm³ （计算值）
• 折射率: 1.749 （计算值）
• 溶解度: Soluble to 2 mg/ml in 10% acetonitrile