3-[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-30-(2-氨基-2-氧代乙基)-9-仲-丁基-36-(3-亚氨基甲酰胺基丙基)-6-氨基甲酰-24,45-二(羧甲基)-53-(甘氨酰亚氨基)-27-(4-羟基苄基)-48-(羟基甲基)-21-(1H-咪唑-4-基甲基)-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-12-基]丙酸
[CAS# 740980-24-9]

基本信息

• 产品名称: 3-[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-30-(2-氨基-2-氧代乙基)-9-仲-丁基-36-(3-亚氨基甲酰胺基丙基)-6-氨基甲酰-24,45-二(羧甲基)-53-(甘氨酰亚氨基)-27-(4-羟基苄基)-48-(羟基甲基)-21-(1H-咪唑-4-基甲基)-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-12-基]丙酸
• 英文名: 3-[(1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,39S,45S,48S,53R)-30-(2-Amino-2-oxoethyl)-9-sec-butyl-36-(3-carbamimidamidopropyl)-6-carbamoyl-24,45-bis(carboxymethyl)-53-(glycylamino)-27-(4-hydroxybenzyl)-48-(hydroxymethyl)-21-(1H-imidazol-4-ylmethyl)-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-12-yl]propanoic acid
• 别名: ACV 1; Conotoxin Vc1.1
• 分子式: C₇₁H₁₀₂N₂₃O₂₅S₄
• 分子量: 1806.98
• CAS 登录号: 740980-24-9
• 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)CN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC5=CNC=N5)CC(=O)O)CC6=CC=C(C=C6)O)CC(=O)N)CCCNC(=N)N)CC(=O)O)CO)C(=O)N
• 国际化学标识码 InChI: 1S/C71H103N23O25S4/c1-3-32(2)55-68(117)89-44(56(74)105)27-120-122-30-47-65(114)88-43(26-95)62(111)87-42(23-54(103)104)70(119)94-18-6-8-48(94)66(115)81-36(7-4-16-78-71(75)76)57(106)90-46(29-123-121-28-45(63(112)91-47)80-51(98)24-72)64(113)84-39(21-50(73)97)60(109)83-38(19-33-10-12-35(96)13-11-33)59(108)85-40(22-53(101)102)61(110)86-41(20-34-25-77-31-79-34)69(118)93-17-5-9-49(93)67(116)82-37(58(107)92-55)14-15-52(99)100/h10-13,25,31-32,36-49,55,95-96H,3-9,14-24,26-30,72H2,1-2H3,(H2,73,97)(H2,74,105)(H,77,79)(H,80,98)(H,81,115)(H,82,116)(H,83,109)(H,84,113)(H,85,108)(H,86,110)(H,87,111)(H,88,114)(H,89,117)(H,90,106)(H,91,112)(H,92,107)(H,99,100)(H,101,102)(H,103,104)(H4,75,76,78)/t32-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-/m0/s1
• 国际化学标识检索码 InChIKey: KJQOYUHYAZGPIZ-PIJHVLQJSA-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）