Asp(1)-Val(5)-Angiotensin II
[CAS# 53-75-8]

Identification

• Name: Asp(1)-Val(5)-Angiotensin II
• Synonyms: (2S)-2-Amino-4-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-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-Propyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Keto-Butyric Acid; (2S)-2-Amino-4-[[(1S)-4-Guanidino-1-[[(1S)-1-[[(1S)-2-[[(1S)-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-Propyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]Butyl]Amino]-4-Oxo-Butanoic Acid; (2S)-2-Amino-4-[[(1S)-4-Guanidino-1-[[[(1S)-1-[[[(1S)-2-[[(1S)-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-Methylpropyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]Butyl]Amino]-4-Oxobutanoic Acid
• Molecular Formula: C₄₉H₆₉N₁₃O₁₂
• Molecular Weight: 1032.16
• CAS Registry Number: 53-75-8
• 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[C@H](N)C(O)=O)CCCN=C(N)N)C(C)C)CC2=CC=C(O)C=C2)C(C)C)CC3=CN=C[NH]3)C(=O)N[C@@H](CC4=CC=CC=C4)C(O)=O
• InChI: 1S/C49H69N13O12/c1-26(2)39(60-41(65)33(12-8-18-54-49(51)52)56-38(64)23-32(50)47(71)72)44(68)57-34(20-29-14-16-31(63)17-15-29)42(66)61-40(27(3)4)45(69)58-35(22-30-24-53-25-55-30)46(70)62-19-9-13-37(62)43(67)59-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,63H,8-9,12-13,18-23,50H2,1-4H3,(H,53,55)(H,56,64)(H,57,68)(H,58,69)(H,59,67)(H,60,65)(H,61,66)(H,71,72)(H,73,74)(H4,51,52,54)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1
• InChIKey: UWBHCQZBKMQGKQ-CGHBYZBKSA-N

Properties

• Density: 1.452g/cm³ (Cal.)