去氨基-(8alpha-羟基异己酸)-后叶催产素
[CAS# 71375-94-5]

基本信息

• 产品名称: 去氨基-(8alpha-羟基异己酸)-后叶催产素
• 英文名: Deamino-(8alpha-Hydroxyisocaproic Acid)-Oxytocin
• 别名: [1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-3-Methyl-Butyl] 1-[7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxylate; 1-[[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-2-Pyrrolidinecarboxylic Acid [1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-3-Methylbutyl] Ester; 1-[7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaketo-13-Sec-Butyl-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]Pyrrolidine-2-Carboxylic Acid [1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-3-Methyl-Butyl] Ester
• 分子式: C₄₃H₆₄N₁₀O₁₃S₂
• 分子量: 993.16
• CAS 登录号: 71375-94-5
• 分子行输入简码 SMILES: C3=C(CC1NC(=O)CCSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(CC)C)CCC(=O)N)CC(=O)N)C(=O)N2C(C(OC(C(=O)NCC(=O)N)CC(C)C)=O)CCC2)C=CC(=C3)O
• 国际化学标识码 InChI: 1S/C43H64N10O13S2/c1-5-23(4)36-41(63)49-26(12-13-32(44)55)37(59)50-28(19-33(45)56)38(60)51-29(21-68-67-16-14-35(58)48-27(39(61)52-36)18-24-8-10-25(54)11-9-24)42(64)53-15-6-7-30(53)43(65)66-31(17-22(2)3)40(62)47-20-34(46)57/h8-11,22-23,26-31,36,54H,5-7,12-21H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,62)(H,48,58)(H,49,63)(H,50,59)(H,51,60)(H,52,61)
• 国际化学标识检索码 InChIKey: YLLWBUANKHPCIT-UHFFFAOYSA-N

物理化学性质

• 密度: 1.269g/cm³ （计算值）
• 沸点: 1458.939°C at 760 mmHg （计算值）
• 闪点: 836.136°C （计算值）