物质 P (4-11)
[CAS# 53749-60-3]

基本信息

• 产品名称: 物质 P (4-11)
• 英文名: Substance P (4-11)
• 别名: (2S)-N-[(1S)-4-Amino-1-[[(1S)-2-[[(1S)-2-[[2-[[1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]-4-Oxo-Butyl]-2-(Pyrrolidine-2-Carbonylamino)Pentanediamide; (2S)-N-[(1S)-4-Amino-1-[[[(1S)-2-[[(1S)-2-[[2-[[1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-4-Oxobutyl]-2-[[Oxo-(2-Pyrrolidinyl)Methyl]Amino]Pentanediamide; (2S)-N-[(1S)-4-Amino-1-[[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[2-[[1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-4-Keto-Butyl]-2-(Prolylamino)Glutaramide
• 分子式: C₄₆H₆₇N₁₁O₁₀S
• 分子量: 966.16
• CAS 登录号: 53749-60-3
• 分子行输入简码 SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1NCCC1)CCC(=O)N)CCC(=O)N)(C(=O)N[C@H](C(=O)NCC(=O)NC(C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)CC2=CC=CC=C2)CC3=CC=CC=C3
• 国际化学标识码 InChI: 1S/C46H67N11O10S/c1-27(2)23-34(45(66)53-30(40(49)61)20-22-68-3)52-39(60)26-51-41(62)35(24-28-11-6-4-7-12-28)56-46(67)36(25-29-13-8-5-9-14-29)57-44(65)33(17-19-38(48)59)55-43(64)32(16-18-37(47)58)54-42(63)31-15-10-21-50-31/h4-9,11-14,27,30-36,50H,10,15-26H2,1-3H3,(H2,47,58)(H2,48,59)(H2,49,61)(H,51,62)(H,52,60)(H,53,66)(H,54,63)(H,55,64)(H,56,67)(H,57,65)/t30-,31?,32-,33-,34?,35-,36-/m0/s1
• 国际化学标识检索码 InChIKey: XVTHVTVZLLFSPI-YJPQGOKNSA-N

物理化学性质

• 密度: 1.266g/cm³ （计算值）
• 沸点: 1470.114°C at 760 mmHg （计算值）
• 闪点: 842.894°C （计算值）