Histidyl-glutamyl-alanyl-prolyl-isoleucine
[CAS# 121119-48-0]

Identification

• Name: Histidyl-glutamyl-alanyl-prolyl-isoleucine
• Synonyms: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Pentanoic Acid; (2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-1-Oxopropyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-3-Methylpentanoic Acid; (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]Propanoyl]Pyrrolidine-2-Carbonyl]Amino]-3-Methyl-Valeric Acid
• Molecular Formula: C₂₅H₃₉N₇O₈
• Molecular Weight: 565.63
• CAS Registry Number: 121119-48-0
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CN=C[NH]2)CCC(O)=O)C)C(=O)N[C@@H]([C@H](CC)C)C(O)=O
• InChI: 1S/C25H39N7O8/c1-4-13(2)20(25(39)40)31-23(37)18-6-5-9-32(18)24(38)14(3)29-22(36)17(7-8-19(33)34)30-21(35)16(26)10-15-11-27-12-28-15/h11-14,16-18,20H,4-10,26H2,1-3H3,(H,27,28)(H,29,36)(H,30,35)(H,31,37)(H,33,34)(H,39,40)/t13-,14-,16-,17-,18-,20-/m0/s1
• InChIKey: BBJZTZVCICUYNU-HOCDWTQPSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 1065.768°C at 760 mmHg (Cal.)
• Flash point: 598.355°C (Cal.)