5-L-Isoleucine-6-(4-Amino-L-Phenylalanine)-Angiotensin II
[CAS# 90937-05-6]

Identification

• Name: 5-L-Isoleucine-6-(4-Amino-L-Phenylalanine)-Angiotensin II
• Synonyms: (3S)-3-Amino-4-[[1-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[(4-Aminophenyl)Methyl]-2-[(2S)-2-[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-Amino-4-[[1-[[[(1S)-1-[[[(1S)-2-[[(1S,2S)-1-[[[(1S)-1-[(4-Aminophenyl)Methyl]-2-[(2S)-2-[[[(1S)-2-Hydroxy-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-4-Guanidinobutyl]Amino]-4-Oxobutanoic Acid; (3S)-3-Amino-4-[[1-[[(1S)-1-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-(4-Aminobenzyl)-2-[(2S)-2-[[(1S)-1-(Benzyl)-2-Hydroxy-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Butyl]Amino]-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-4-Guanidino-Butyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₅₃H₇₄N₁₂O₁₂
• Molecular Weight: 1071.24
• CAS Registry Number: 90937-05-6
• 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(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=CC=C(N)C=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(O)=O
• InChI: 1S/C53H74N12O12/c1-5-30(4)44(50(74)61-39(26-32-15-19-34(54)20-16-32)51(75)65-24-10-14-41(65)48(72)62-40(52(76)77)27-31-11-7-6-8-12-31)64-47(71)38(25-33-17-21-35(66)22-18-33)60-49(73)43(29(2)3)63-46(70)37(13-9-23-58-53(56)57)59-45(69)36(55)28-42(67)68/h6-8,11-12,15-22,29-30,36-41,43-44,66H,5,9-10,13-14,23-28,54-55H2,1-4H3,(H,59,69)(H,60,73)(H,61,74)(H,62,72)(H,63,70)(H,64,71)(H,67,68)(H,76,77)(H4,56,57,58)/t30-,36-,37?,38-,39-,40-,41-,43-,44-/m0/s1
• InChIKey: WXEDXHQFMNILKZ-YQOSKVEBSA-N

Properties

• Density: 1.405g/cm³ (Cal.)