丙氨酰(5)-氨基异丁酰基(8)-亮氨酸(10)-神经激肽A
[CAS# 127627-57-0]

基本信息

• 产品名称: 丙氨酰(5)-氨基异丁酰基(8)-亮氨酸(10)-神经激肽A
• 英文名: alanyl(5)-aminoisobutyryl(8)-leucine(10)-Neurokinin A
• 别名: (3S)-3-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxobutyl]Amino]-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-1-Oxopropyl)Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-4-Oxobutanoic Acid; (3S)-3-[[(2S,3R)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoyl]Amino]-3-Hydroxy-Butanoyl]Amino]-4-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(2S)-2-[[(2S)-2-[(2-Amino-2-Methyl-Propanoyl)Amino]-4-Methyl-Pentanoyl]Amino]-4-Methyl-Pentanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-(Benzyl)-2-Keto-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-4-Keto-Butyric Acid
• 分子式: C₅₃H₈₆N₁₄O₁₃
• 分子量: 1127.35
• CAS 登录号: 127627-57-0
• 分子行输入简码 SMILES: [C@H](NC(=O)C(N)(C)C)(CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CN=C[NH]1)CCCCN)[C@H](O)C)CC(O)=O)C)CC2=CC=CC=C2)C(C)C
• 国际化学标识码 InChI: 1S/C53H86N14O13/c1-27(2)20-36(62-47(75)37(21-28(3)4)64-52(80)53(9,10)56)49(77)67-50(78)41(29(5)6)65-48(76)38(22-32-16-12-11-13-17-32)61-43(71)30(7)59-46(74)39(24-40(69)70)63-51(79)42(31(8)68)66-45(73)35(18-14-15-19-54)60-44(72)34(55)23-33-25-57-26-58-33/h11-13,16-17,25-31,34-39,41-42,68H,14-15,18-24,54-56H2,1-10H3,(H,57,58)(H,59,74)(H,60,72)(H,61,71)(H,62,75)(H,63,79)(H,64,80)(H,65,76)(H,66,73)(H,69,70)(H,67,77,78)/t30-,31+,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1
• 国际化学标识检索码 InChIKey: OESNOXDYPOQXIK-FPZIQTPSSA-N

物理化学性质

• 密度: 1.244g/cm³ （计算值）
• 沸点: 1473.624°C at 760 mmHg （计算值）
• 闪点: 845.017°C （计算值）