1-(N-Methylglycine)-5-L-isoleucine-8-(D-2-phenylglycine)angiotensin II
[CAS# 111821-46-6]

Identification

• Name: 1-(N-Methylglycine)-5-L-isoleucine-8-(D-2-phenylglycine)angiotensin II
• Synonyms: (2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Guanidino-2-[(2-Methylaminoacetyl)Amino]Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-2-Phenyl-Acetic Acid; (2R)-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Guanidino-2-[(2-Methylamino-1-Oxoethyl)Amino]-1-Oxopentyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-2-Phenylacetic Acid; (2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-Guanidino-2-(Sarcosylamino)Pentanoyl]Amino]-3-Methyl-Butanoyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-2-Phenyl-Acetic Acid
• Molecular Formula: C₄₈H₆₉N₁₃O₁₀
• Molecular Weight: 988.15
• CAS Registry Number: 111821-46-6
• 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@@H](NC(=O)CNC)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](C4=CC=CC=C4)C(O)=O
• InChI: 1S/C48H69N13O10/c1-6-28(4)39(45(68)57-35(23-31-24-52-26-54-31)46(69)61-21-11-15-36(61)43(66)60-40(47(70)71)30-12-8-7-9-13-30)59-42(65)34(22-29-16-18-32(62)19-17-29)56-44(67)38(27(2)3)58-41(64)33(55-37(63)25-51-5)14-10-20-53-48(49)50/h7-9,12-13,16-19,24,26-28,33-36,38-40,51,62H,6,10-11,14-15,20-23,25H2,1-5H3,(H,52,54)(H,55,63)(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,70,71)(H4,49,50,53)/t28-,33-,34-,35-,36-,38-,39-,40+/m0/s1
• InChIKey: FTRYLOUOYBMHJX-NMVBJOGESA-N

Properties

• Density: 1.396g/cm³ (Cal.)