1-去(5-氧代-L-脯氨酸)-2-去-L-谷氨酰胺-3-L-天冬氨酰胺-5-(O-磺基-L-酪氨酸)雨蛙肽
[CAS# 126985-56-6]

基本信息

• 产品名称: 1-去(5-氧代-L-脯氨酸)-2-去-L-谷氨酰胺-3-L-天冬氨酰胺-5-(O-磺基-L-酪氨酸)雨蛙肽
• 英文名: 1-De(5-oxo-L-proline)-2-de-L-glutamine-3-L-asparagine-5-(O-sulfo-L-tyrosine)caerulein
• 别名: 4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]-3-(4-Sulfooxyphenyl)Propanoyl]Amino]-3-(4-Sulfooxyphenyl)Propanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]Amino]-1-Oxo-3-(4-Sulfooxyphenyl)Propyl]Amino]-1-Oxo-3-(4-Sulfooxyphenyl)Propyl]Amino]-1-Oxoethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-Diamino-4-Keto-Butanoyl]Amino]-3-(4-Sulfoxyphenyl)Propanoyl]Amino]-3-(4-Sulfoxyphenyl)Propanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• 分子式: C₅₃H₆₃N₁₁O₁₉S₃
• 分子量: 1254.32
• CAS 登录号: 126985-56-6
• 分子行输入简码 SMILES: [C@@H](CC1=CC=C(O[S](=O)(=O)O)C=C1)(NC([C@H](CC2=CC=C(C=C2)O[S](=O)(=O)O)NC(=O)[C@H](CC(=O)N)N)=O)C(NCC(N[C@@H](CC3=C[NH]C4=C3C=CC=C4)C(N[C@H](C(=O)NC(C(=O)N[C@H](C(N)=O)CC5=CC=CC=C5)CC(=O)O)CCSC)=O)=O)=O
• 国际化学标识码 InChI: 1S/C53H63N11O19S3/c1-84-20-19-38(50(72)64-43(26-46(67)68)53(75)61-39(47(56)69)21-29-7-3-2-4-8-29)60-52(74)42(24-32-27-57-37-10-6-5-9-35(32)37)59-45(66)28-58-49(71)40(22-30-11-15-33(16-12-30)82-85(76,77)78)63-51(73)41(62-48(70)36(54)25-44(55)65)23-31-13-17-34(18-14-31)83-86(79,80)81/h2-18,27,36,38-43,57H,19-26,28,54H2,1H3,(H2,55,65)(H2,56,69)(H,58,71)(H,59,66)(H,60,74)(H,61,75)(H,62,70)(H,63,73)(H,64,72)(H,67,68)(H,76,77,78)(H,79,80,81)/t36-,38-,39-,40-,41-,42-,43?/m0/s1
• 国际化学标识检索码 InChIKey: SMWALVPHKGXESK-BMIPBODUSA-N

物理化学性质

• 密度: 1.494g/cm³ （计算值）