(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 129623-52-5]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₂₁H₃₂N₆O₉
• Molecular Weight: 512.52
• CAS Registry Number: 129623-52-5
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CN=C[NH]1)=O)CC(=O)O)=O)CCC(=O)O)=O)CC(C)C
• InChI: 1S/C21H32N6O9/c1-10(2)5-15(21(35)36)27-19(33)13(3-4-16(28)29)25-20(34)14(7-17(30)31)26-18(32)12(22)6-11-8-23-9-24-11/h8-10,12-15H,3-7,22H2,1-2H3,(H,23,24)(H,25,34)(H,26,32)(H,27,33)(H,28,29)(H,30,31)(H,35,36)/t12-,13-,14-,15-/m0/s1
• InChIKey: INOZZBHURUDQQR-AJNGGQMLSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 1066.163°C at 760 mmHg (Cal.)
• Flash point: 598.594°C (Cal.)