N-[1-[N-(N-L-alpha-Glutamyl-L-Histidyl)-L-Isoleucyl]-L-Prolyl]-L-Alanine
[CAS# 137235-80-4]

Identification

• Name: N-[1-[N-(N-L-alpha-Glutamyl-L-Histidyl)-L-Isoleucyl]-L-Prolyl]-L-Alanine
• Synonyms: (4S)-4-Amino-5-[[(1S)-2-[[(1S,2S)-1-[(2S)-2-[[(1S)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Butyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1S)-2-[[(1S,2S)-1-[[(2S)-2-[[[(1S)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-Oxomethyl]-2-Methylbutyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1S)-2-[[(1S,2S)-1-[(2S)-2-[[(1S)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Carbamoyl]Pyrrolidine-1-Carbonyl]-2-Methyl-Butyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₅H₃₉N₇O₈
• Molecular Weight: 565.63
• CAS Registry Number: 137235-80-4
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)CC1=CN=C[NH]1)[C@H](CC)C)CCC2)C(=O)N[C@H](C(=O)O)C
• InChI: 1S/C25H39N7O8/c1-4-13(2)20(24(38)32-9-5-6-18(32)23(37)29-14(3)25(39)40)31-22(36)17(10-15-11-27-12-28-15)30-21(35)16(26)7-8-19(33)34/h11-14,16-18,20H,4-10,26H2,1-3H3,(H,27,28)(H,29,37)(H,30,35)(H,31,36)(H,33,34)(H,39,40)/t13-,14-,16-,17-,18-,20-/m0/s1
• InChIKey: VWJLJHZPMZGDDV-HOCDWTQPSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 1067.763°C at 760 mmHg (Cal.)
• Flash point: 599.561°C (Cal.)