Phosphotyrosylangiotensin II
[CAS# 129785-85-9]

Identification

• Name: Phosphotyrosylangiotensin 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]-2-Oxo-1-[(4-Phosphonooxyphenyl)Methyl]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]-2-Oxo-1-[(4-Phosphonooxyphenyl)Methyl]Ethyl]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-Phosphonooxybenzyl)Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₀H₇₂N₁₃O₁₅P
• Molecular Weight: 1126.17
• CAS Registry Number: 129785-85-9
• 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[P](O)(O)=O)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/C50H72N13O15P/c1-5-28(4)41(47(71)59-36(23-31-25-54-26-56-31)48(72)63-20-10-14-38(63)45(69)60-37(49(73)74)22-29-11-7-6-8-12-29)62-44(68)35(21-30-15-17-32(18-16-30)78-79(75,76)77)58-46(70)40(27(2)3)61-43(67)34(13-9-19-55-50(52)53)57-42(66)33(51)24-39(64)65/h6-8,11-12,15-18,25-28,33-38,40-41H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H,61,67)(H,62,68)(H,64,65)(H,73,74)(H4,52,53,55)(H2,75,76,77)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
• InChIKey: SIDJRUMTBNGMRF-JZXHSEFVSA-N

Properties

• Density: 1.506g/cm³ (Cal.)