Ala(8)-Angiotensin II
[CAS# 18197-01-8]

Identification

• Name: Ala(8)-Angiotensin II
• Synonyms: (3S)-3-Amino-4-[[(1S)-4-Guanidino-1-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-2-[(2S)-2-[[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]Butyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[(1S)-4-Guanidino-1-[[[(1S)-1-[[[(1S)-2-[[(1S,2S)-1-[[[(1S)-2-[(2S)-2-[[[(1S)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]Butyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-4-Guanidino-1-[[(1S)-1-[[(1S)-1-(4-Hydroxybenzyl)-2-[[(1S,2S)-1-[[(1S)-2-[(2S)-2-[[(1S)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₄H₆₇N₁₃O₁₂
• Molecular Weight: 970.09
• CAS Registry Number: 18197-01-8 (25061-86-3)
• 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=C(O)C=C2)[C@H](CC)C)CC3=CN=C[NH]3)C(=O)N[C@@H](C)C(O)=O
• InChI: 1S/C44H67N13O12/c1-6-23(4)35(41(66)54-31(18-26-20-48-21-50-26)42(67)57-16-8-10-32(57)39(64)51-24(5)43(68)69)56-38(63)30(17-25-11-13-27(58)14-12-25)53-40(65)34(22(2)3)55-37(62)29(9-7-15-49-44(46)47)52-36(61)28(45)19-33(59)60/h11-14,20-24,28-32,34-35,58H,6-10,15-19,45H2,1-5H3,(H,48,50)(H,51,64)(H,52,61)(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,59,60)(H,68,69)(H4,46,47,49)/t23-,24-,28-,29-,30-,31-,32-,34-,35-/m0/s1
• InChIKey: CUKWUWBLQQDQAC-VEQWQPCFSA-N

Properties

• Density: 1.473g/cm³ (Cal.)