1-去(5-氧代-L-脯氨酸)-2-去-L-谷氨酰胺-3-去-L-精氨酸-4-去-L-亮氨酸-7-L-组氨酸-12-D-苯丙氨酸-蛙皮素
[CAS# 126370-72-7]

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-去-L-精氨酸-4-去-L-亮氨酸-7-L-组氨酸-12-D-苯丙氨酸-蛙皮素
• 英文名: 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-arginine-4-de-L-leucine-7-L-histidine-12-D-phenylalanine-Bombesin
• 别名: (2S)-2-[(2-Aminoacetyl)Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1R)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Butanediamide; (2S)-2-[(2-Amino-1-Oxoethyl)Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1R)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Butanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1R)-1-(Benzyl)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-2-(Glycylamino)Succinamide
• 分子式: C₅₃H₇₅N₁₅O₁₁S
• 分子量: 1130.33
• CAS 登录号: 126370-72-7
• 分子行输入简码 SMILES: [C@H](C(N)=O)(NC([C@@H](NC([C@H](NC(CNC([C@@H](NC(=O)[C@@H](NC([C@H](CC1=C[NH]C2=C1C=CC=C2)NC([C@@H](NC(=O)[C@H](CC(=O)N)NC(CN)=O)CC3=CN=C[NH]3)=O)=O)C)C(C)C)=O)=O)CC4=CC=CC=C4)=O)CC(C)C)=O)CCSC
• 国际化学标识码 InChI: 1S/C53H75N15O11S/c1-28(2)18-37(49(75)64-36(46(56)72)16-17-80-6)65-50(76)38(19-31-12-8-7-9-13-31)63-44(71)26-59-53(79)45(29(3)4)68-47(73)30(5)61-48(74)39(20-32-24-58-35-15-11-10-14-34(32)35)66-51(77)40(21-33-25-57-27-60-33)67-52(78)41(22-42(55)69)62-43(70)23-54/h7-15,24-25,27-30,36-41,45,58H,16-23,26,54H2,1-6H3,(H2,55,69)(H2,56,72)(H,57,60)(H,59,79)(H,61,74)(H,62,70)(H,63,71)(H,64,75)(H,65,76)(H,66,77)(H,67,78)(H,68,73)/t30-,36-,37-,38+,39-,40-,41-,45-/m0/s1
• 国际化学标识检索码 InChIKey: JNZIZEWIJIVVBL-FSMNFDDFSA-N

物理化学性质

• 密度: 1.306g/cm³ （计算值）
• 沸点: 1654.09°C at 760 mmHg （计算值）
• 闪点: 954.159°C （计算值）