(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Methylbutanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 140681-91-0]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Methylbutanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Methyl-Butanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₂₁H₃₉N₅O₇
• Molecular Weight: 473.57
• CAS Registry Number: 140681-91-0
• SMILES: [C@@H](N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)O)C(C)C)CCCCN
• InChI: 1S/C21H39N5O7/c1-11(2)9-15(21(32)33)25-19(30)14(10-16(27)28)24-20(31)17(12(3)4)26-18(29)13(23)7-5-6-8-22/h11-15,17H,5-10,22-23H2,1-4H3,(H,24,31)(H,25,30)(H,26,29)(H,27,28)(H,32,33)/t13-,14-,15-,17-/m0/s1
• InChIKey: SADYNMDJGAWAEW-JKQORVJESA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 842.376°C at 760 mmHg (Cal.)
• Flash point: 463.253°C (Cal.)