(2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 113516-56-6]

Identification

• Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-5-Hydroxy-5-Oxopentanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-5-Hydroxy-1,5-Dioxopentyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2S)-2,6-Diaminohexanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-5-Hydroxy-5-Keto-Pentanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₂₁H₃₇N₅O₉
• Molecular Weight: 503.55
• CAS Registry Number: 113516-56-6
• SMILES: [C@@H](NC([C@@H](NC(C(NC(=O)[C@@H](N)CCCCN)CC(=O)O)=O)CCC(=O)O)=O)(C(=O)O)CC(C)C
• InChI: 1S/C21H37N5O9/c1-11(2)9-15(21(34)35)26-19(32)13(6-7-16(27)28)24-20(33)14(10-17(29)30)25-18(31)12(23)5-3-4-8-22/h11-15H,3-10,22-23H2,1-2H3,(H,24,33)(H,25,31)(H,26,32)(H,27,28)(H,29,30)(H,34,35)/t12-,13-,14?,15-/m0/s1
• InChIKey: JBFQOLHAGBKPTP-NZATWWQASA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 953.071°C at 760 mmHg (Cal.)
• Flash point: 530.198°C (Cal.)