(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]Hexanoyl]Amino]Butanedioic Acid
[CAS# 111245-28-4]

Identification

• Name: (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]Hexanoyl]Amino]Butanedioic Acid
• Synonyms: (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-1-Oxohexyl]Amino]Butanedioic Acid; (2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]Hexanoyl]Amino]Succinic Acid
• Molecular Formula: C₁₃H₂₄N₄O₇
• Molecular Weight: 348.36
• CAS Registry Number: 111245-28-4
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](N)CO)=O)CCCCN)=O)CC(=O)O
• InChI: 1S/C13H24N4O7/c14-4-2-1-3-8(16-11(21)7(15)6-18)12(22)17-9(13(23)24)5-10(19)20/h7-9,18H,1-6,14-15H2,(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1
• InChIKey: PPNPDKGQRFSCAC-CIUDSAMLSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 757.279°C at 760 mmHg (Cal.)
• Flash point: 411.787°C (Cal.)