1-de-L-aspartic acid-2-de-L-arginine-3-de-L-valine-4-de-L-tyrosine-5-(N-acetyl-L-isoleucine)-Angiotensin I
[CAS# 121521-00-4]

Identification

• Name: 1-de-L-aspartic acid-2-de-L-arginine-3-de-L-valine-4-de-L-tyrosine-5-(N-acetyl-L-isoleucine)-Angiotensin I
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-Acetamido-3-Methyl-Pentanoyl]Amino]-3-(1H-Imidazol-2-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-Acetamido-3-Methyl-1-Oxopentyl]Amino]-3-(1H-Imidazol-2-Yl)-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-Acetamido-3-Methyl-Pentanoyl]Amino]-3-(1H-Imidazol-2-Yl)Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₄₀H₅₆N₁₀O₈
• Molecular Weight: 804.94
• CAS Registry Number: 121521-00-4
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)[C@H](CC)C)CC1=NC=C[NH]1)CCC2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC3=CN=C[NH]3)CC4=CC=CC=C4
• InChI: 1S/C40H56N10O8/c1-6-24(4)34(45-25(5)51)38(55)48-30(20-33-42-14-15-43-33)39(56)50-16-10-13-32(50)37(54)47-28(18-26-11-8-7-9-12-26)35(52)46-29(19-27-21-41-22-44-27)36(53)49-31(40(57)58)17-23(2)3/h7-9,11-12,14-15,21-24,28-32,34H,6,10,13,16-20H2,1-5H3,(H,41,44)(H,42,43)(H,45,51)(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)/t24-,28-,29-,30-,31-,32-,34-/m0/s1
• InChIKey: OCPDFWVOTXYQBC-BKKYOMMVSA-N

Properties

• Density: 1.283g/cm³ (Cal.)
• Boiling point: 1297.409°C at 760 mmHg (Cal.)
• Flash point: 738.446°C (Cal.)