(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]Hexanoyl]Amino]-4-Methylpentanoic Acid
[CAS# 130488-05-0]

Identification

• Name: (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]Hexanoyl]Amino]-4-Methylpentanoic Acid
• Synonyms: (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₁₅H₃₀N₄O₅
• Molecular Weight: 346.43
• CAS Registry Number: 130488-05-0
• SMILES: [C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)(NC([C@H](CO)N)=O)CCCCN
• InChI: 1S/C15H30N4O5/c1-9(2)7-12(15(23)24)19-14(22)11(5-3-4-6-16)18-13(21)10(17)8-20/h9-12,20H,3-8,16-17H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)/t10-,11-,12-/m0/s1
• InChIKey: XUDRHBPSPAPDJP-SRVKXCTJSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 709.51°C at 760 mmHg (Cal.)
• Flash point: 382.898°C (Cal.)