1-(1-(1-(N-(N-L-Valyl-L-Histidyl)-L-Leucyl)-L-Prolyl)-L-Prolyl)-L-Proline
[CAS# 121322-14-3]

Identification

• Name: 1-(1-(1-(N-(N-L-Valyl-L-Histidyl)-L-Leucyl)-L-Prolyl)-L-Prolyl)-L-Proline
• Synonyms: (2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-1-Oxobutyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinyl]-Oxomethyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-Methyl-Butanoyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Proline
• Molecular Formula: C₃₂H₅₀N₈O₇
• Molecular Weight: 658.80
• CAS Registry Number: 121322-14-3
• SMILES: [C@H]1(C(=O)O)N(CCC1)C([C@H]2N(CCC2)C([C@H]3N(CCC3)C([C@@H](NC([C@@H](NC([C@@H](N)C(C)C)=O)CC4=CN=C[NH]4)=O)CC(C)C)=O)=O)=O
• InChI: 1S/C32H50N8O7/c1-18(2)14-22(37-27(41)21(15-20-16-34-17-35-20)36-28(42)26(33)19(3)4)29(43)38-11-5-8-23(38)30(44)39-12-6-9-24(39)31(45)40-13-7-10-25(40)32(46)47/h16-19,21-26H,5-15,33H2,1-4H3,(H,34,35)(H,36,42)(H,37,41)(H,46,47)/t21-,22-,23-,24-,25-,26-/m0/s1
• InChIKey: VRBRSQUJTJSJCL-FRSCJGFNSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 1050.438°C at 760 mmHg (Cal.)
• Flash point: 589.084°C (Cal.)