缩胆囊素C-末端侧翼肽
[CAS# 101162-62-3]

基本信息

• 产品名称: 缩胆囊素C-末端侧翼肽
• 英文名: Cholecystokinin C-Terminal Flanking Peptide
• 别名: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Propanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-3-(4-Sulfooxyphenyl)Propanoyl]Amino]-5-[[(1S)-2-[(2S)-2-[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-1-[(4-Sulfooxyphenyl)Methyl]Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-1-Oxo-3-(4-Sulfooxyphenyl)Propyl]Amino]-5-[[(1S)-2-[(2S)-2-[[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxo-1-[(4-Sulfooxyphenyl)Methyl]Ethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Propanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-3-(4-Sulfoxyphenyl)Propanoyl]Amino]-5-[[(1S)-2-[(2S)-2-[[(1S)-2-Hydroxy-2-Keto-1-Methylol-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-(4-Sulfoxybenzyl)Ethyl]Amino]-5-Keto-Valeric Acid
• 分子式: C₄₆H₆₁N₉O₂₆S₂
• 分子量: 1220.15
• CAS 登录号: 101162-62-3
• 分子行输入简码 SMILES: [C@@H]3(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C)CCC(=O)O)CC(=O)O)CC1=CC=C(O[S](=O)(=O)O)C=C1)CCC(=O)O)CC2=CC=C(O[S](=O)(=O)O)C=C2)CCC3)C(=O)N[C@H](C(=O)O)CO
• 国际化学标识码 InChI: 1S/C46H61N9O26S2/c1-22(48-39(65)27(47)20-56)38(64)49-28(12-14-35(58)59)40(66)52-31(19-37(62)63)43(69)51-30(17-23-4-8-25(9-5-23)80-82(74,75)76)42(68)50-29(13-15-36(60)61)41(67)53-32(18-24-6-10-26(11-7-24)81-83(77,78)79)45(71)55-16-2-3-34(55)44(70)54-33(21-57)46(72)73/h4-11,22,27-34,56-57H,2-3,12-21,47H2,1H3,(H,48,65)(H,49,64)(H,50,68)(H,51,69)(H,52,66)(H,53,67)(H,54,70)(H,58,59)(H,60,61)(H,62,63)(H,72,73)(H,74,75,76)(H,77,78,79)/t22-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
• 国际化学标识检索码 InChIKey: KGMRSCSATQWHQF-ABUNNCLWSA-N

物理化学性质

• 密度: 1.586g/cm³ （计算值）