beta-(4-吡啶基-1-氧化物)-4-丙氨酰-血管紧张素 I
[CAS# 132488-66-5]

基本信息

• 产品名称: beta-(4-吡啶基-1-氧化物)-4-丙氨酰-血管紧张素 I
• 英文名: beta-(4-Pyridyl-1-oxide)-4-ala-angiotensin I
• 别名: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Oxo-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(1-Oxidopyridin-1-Ium-4-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-1,4-Dioxobutyl]Amino]-5-Guanidino-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-(1-Oxido-4-Pyridin-1-Iumyl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-4-Hydroxy-4-Keto-Butanoyl]Amino]-5-Guanidino-Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(1-Oxidopyridin-1-Ium-4-Yl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Valeric Acid
• 分子式: C₆₁H₈₈N₁₈O₁₄
• 分子量: 1297.48
• CAS 登录号: 132488-66-5
• 分子行输入简码 SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)CCCN=C(N)N)C(C)C)CC2=CC=[N+]([O-])C=C2)[C@H](CC)C)CC3=CN=C[NH]3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CN=C[NH]5)C(=O)N[C@@H](CC(C)C)C(O)=O
• 国际化学标识码 InChI: 1S/C61H88N18O14/c1-7-35(6)50(77-55(86)43(25-37-17-21-78(93)22-18-37)73-57(88)49(34(4)5)76-52(83)41(15-11-19-67-61(63)64)70-51(82)40(62)28-48(80)81)58(89)74-45(27-39-30-66-32-69-39)59(90)79-20-12-16-47(79)56(87)72-42(24-36-13-9-8-10-14-36)53(84)71-44(26-38-29-65-31-68-38)54(85)75-46(60(91)92)23-33(2)3/h8-10,13-14,17-18,21-22,29-35,40-47,49-50H,7,11-12,15-16,19-20,23-28,62H2,1-6H3,(H,65,68)(H,66,69)(H,70,82)(H,71,84)(H,72,87)(H,73,88)(H,74,89)(H,75,85)(H,76,83)(H,77,86)(H,80,81)(H,91,92)(H4,63,64,67)/t35-,40-,41-,42-,43+,44-,45-,46-,47-,49-,50-/m0/s1
• 国际化学标识检索码 InChIKey: ZWDBRXIZWWUABP-ZBBHJLCNSA-N

物理化学性质

• 密度: 1.448g/cm³ （计算值）