4-(O-Methyl-L-tyrosine)-5-L-isoleucine-Angiotensin II
[CAS# 25061-69-2]

Identification

• Name: 4-(O-Methyl-L-tyrosine)-5-L-isoleucine-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-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-1-[(4-Methoxyphenyl)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-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-1-[(4-Methoxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]Butyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-2-[(2S)-2-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-2-Keto-1-(4-Methoxybenzyl)Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₁H₇₃N₁₃O₁₂
• Molecular Weight: 1060.22
• CAS Registry Number: 25061-69-2 (25061-83-0)
• 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(OC)C=C2)[C@H](CC)C)CC3=CN=C[NH]3)C(=O)N[C@@H](CC4=CC=CC=C4)C(O)=O
• InChI: 1S/C51H73N13O12/c1-6-29(4)42(48(72)60-37(24-32-26-55-27-57-32)49(73)64-21-11-15-39(64)46(70)61-38(50(74)75)23-30-12-8-7-9-13-30)63-45(69)36(22-31-16-18-33(76-5)19-17-31)59-47(71)41(28(2)3)62-44(68)35(14-10-20-56-51(53)54)58-43(67)34(52)25-40(65)66/h7-9,12-13,16-19,26-29,34-39,41-42H,6,10-11,14-15,20-25,52H2,1-5H3,(H,55,57)(H,58,67)(H,59,71)(H,60,72)(H,61,70)(H,62,68)(H,63,69)(H,65,66)(H,74,75)(H4,53,54,56)/t29-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1
• InChIKey: YRJQYENRRPNYTM-RFPLCTPYSA-N

Properties

• Density: 1.411g/cm³ (Cal.)