N(1,6)(beta-吡喃葡萄糖基)谷氨酰(5)-脯氨酸(9)-物质 P (6-11)
[CAS# 125741-45-9]

基本信息

• 产品名称: N(1,6)(beta-吡喃葡萄糖基)谷氨酰(5)-脯氨酸(9)-物质 P (6-11)
• 英文名: N(1,6)(beta-glucopyranosyl)glutamyl(5)-proline(9)-Substance P (6-11)
• 别名: (4S)-4-Amino-5-[[(1S)-2-[[(1S)-2-[[(2S)-2-[[(2S)-4-Methyl-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Pentanoyl]Amino]-4-Methylsulfanyl-Butanoyl]-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1S)-2-[[(1S)-2-[[(2S)-2-[[(2S)-4-Methyl-1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Pentyl]Amino]-4-(Methylthio)-1-Oxobutyl]-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-Keto-2-[[(2S)-2-[[(2S)-4-Methyl-2-(Prolylamino)Pentanoyl]Amino]-4-(Methylthio)Butanoyl]-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Amino]Ethyl]Amino]-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• 分子式: C₄₅H₆₅N₇O₁₃S
• 分子量: 944.11
• CAS 登录号: 125741-45-9
• 分子行输入简码 SMILES: [C@H](C(=O)N(C([C@@H](NC([C@@H](NC([C@@H](N)CCC(=O)O)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)CO)(NC([C@@H](NC([C@H]4NCCC4)=O)CC(C)C)=O)CCSC
• 国际化学标识码 InChI: 1S/C45H65N7O13S/c1-25(2)21-31(50-40(60)29-15-10-19-47-29)41(61)48-30(18-20-66-3)43(63)52(45-38(58)37(57)36(56)34(24-53)65-45)44(64)33(23-27-13-8-5-9-14-27)51-42(62)32(22-26-11-6-4-7-12-26)49-39(59)28(46)16-17-35(54)55/h4-9,11-14,25,28-34,36-38,45,47,53,56-58H,10,15-24,46H2,1-3H3,(H,48,61)(H,49,59)(H,50,60)(H,51,62)(H,54,55)/t28-,29-,30-,31-,32-,33-,34+,36+,37-,38+,45+/m0/s1
• 国际化学标识检索码 InChIKey: GLGUHGRWNFNRGK-RRARUZKLSA-N

物理化学性质

• 密度: 1.384g/cm³ （计算值）
• 沸点: 1268.585°C at 760 mmHg （计算值）
• 闪点: 721.014°C （计算值）