2-[[(2S)-2-[2-[[(2S)-2-[2-(2-Aminopropanoylamino)Propanoylamino]Propanoyl]Amino]Propanoylamino]Propanoyl]Amino]Propanoic Acid
[CAS# 111652-29-0]

Identification

• Name: 2-[[(2S)-2-[2-[[(2S)-2-[2-(2-Aminopropanoylamino)Propanoylamino]Propanoyl]Amino]Propanoylamino]Propanoyl]Amino]Propanoic Acid
• Synonyms: 2-[[(2S)-2-[[2-[[(2S)-2-[[2-[(2-Amino-1-Oxopropyl)Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]Propanoic Acid; 2-[[(2S)-2-[2-[[(2S)-2-[2-(Alanylamino)Propanoylamino]Propanoyl]Amino]Propanoylamino]Propanoyl]Amino]Propionic Acid; Hexa-L-Alanine
• Molecular Formula: C₁₈H₃₂N₆O₇
• Molecular Weight: 444.49
• CAS Registry Number: 111652-29-0
• SMILES: [C@H](C(NC(C(N[C@H](C(NC(C(=O)O)C)=O)C)=O)C)=O)(NC(C(NC(=O)C(N)C)C)=O)C
• InChI: 1S/C18H32N6O7/c1-7(19)13(25)20-8(2)14(26)21-9(3)15(27)22-10(4)16(28)23-11(5)17(29)24-12(6)18(30)31/h7-12H,19H2,1-6H3,(H,20,25)(H,21,26)(H,22,27)(H,23,28)(H,24,29)(H,30,31)/t7?,8?,9-,10?,11-,12?/m0/s1
• InChIKey: ZLHDFPIXRRJBKM-NQJBZEPTSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 929.217°C at 760 mmHg (Cal.)
• Flash point: 515.772°C (Cal.)