N,N-二乙基酰胺1-(1-巯基环己烷乙酸)-2-O-甲基-酪氨酰-4-谷氨酸(gamma-N,N-二乙基酰胺)-8-精氨酰-加压素
[CAS# 125443-55-2]

基本信息

• 产品名称: N,N-二乙基酰胺1-(1-巯基环己烷乙酸)-2-O-甲基-酪氨酰-4-谷氨酸(gamma-N,N-二乙基酰胺)-8-精氨酰-加压素
• 英文名: N,N-Diethylamide 1-(1-Mercaptocyclohexaneacetic Acid)-2-O-Methyl-Tyr-4-Glutamic Acid (gamma-N,N-Diethylamide)-8-Arg-Vasopressin
• 别名: (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(1S)-1-[(2-Diethylaminoacetyl)-[(2S)-2-[[(2S)-3-(4-Methoxyphenyl)-2-[[2-(1-Sulfanylcyclohexyl)Acetyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-1-Methanethioyl-2-Oxo-Ethyl]Carbamoyl]-3-Oxo-Propyl]-2-Diethylamino-Pentanediamide; (2S)-N-[(1S)-3-Amino-1-[[[(1R)-2-[(2S)-2-[[[(1S)-1-[[(2-Diethylamino-1-Oxoethyl)-[(2S)-2-[[(2S)-2-[[2-(1-Mercaptocyclohexyl)-1-Oxoethyl]Amino]-3-(4-Methoxyphenyl)-1-Oxopropyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-Methanethioyl-2-Oxoethyl]Amino]-Oxomethyl]-3-Oxopropyl]-2-Diethylaminopentanediamide; (2S)-N-[(1S)-3-Amino-1-[[(1R)-2-[(2S)-2-[[(1S)-1-[(2-Diethylaminoacetyl)-[(2S)-2-[[(2S)-2-[[2-(1-Mercaptocyclohexyl)Acetyl]Amino]-3-(4-Methoxyphenyl)Propanoyl]Amino]-3-Phenyl-Propanoyl]Carbamoyl]-4-Guanidino-Butyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-1-Thioformyl-Ethyl]Carbamoyl]-3-Keto-Propyl]-2-Diethylamino-Glutaramide
• 分子式: C₆₀H₉₀N₁₄O₁₂S₂
• 分子量: 1263.58
• CAS 登录号: 125443-55-2
• 分子行输入简码 SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N(CC)CC)CCC(=O)N)CC(=O)N)C=S)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC2(S)CCCCC2)CC3=CC=C(OC)C=C3)CC4=CC=CC=C4)C(=O)CN(CC)CC
• 国际化学标识码 InChI: 1S/C60H90N14O12S2/c1-6-71(7-2)36-51(78)74(58(85)44(33-38-18-12-10-13-19-38)69-52(79)42(32-39-22-24-40(86-5)25-23-39)66-50(77)35-60(88)28-14-11-15-29-60)57(84)41(20-16-30-65-59(63)64)67-55(82)47-21-17-31-73(47)56(83)45(37-87)70-53(80)43(34-49(62)76)68-54(81)46(26-27-48(61)75)72(8-3)9-4/h10,12-13,18-19,22-25,37,41-47,88H,6-9,11,14-17,20-21,26-36H2,1-5H3,(H2,61,75)(H2,62,76)(H,66,77)(H,67,82)(H,68,81)(H,69,79)(H,70,80)(H4,63,64,65)/t41-,42-,43-,44-,45-,46-,47-/m0/s1
• 国际化学标识检索码 InChIKey: QJFLLIGCIKBGLO-DRODSASKSA-N

物理化学性质

• 密度: 1.355g/cm³ （计算值）