(2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Hydroxypropanoyl]Amino]Pentanedioic Acid
[CAS# 115633-61-9]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Hydroxypropanoyl]Amino]Pentanedioic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-Diamino-1-Oxohexyl]Amino]-3-Hydroxy-1-Oxopropyl]Amino]Pentanedioic Acid; (2S)-2-[[(2S)-2-[[(2S)-2,6-Diaminohexanoyl]Amino]-3-Hydroxy-Propanoyl]Amino]Glutaric Acid
• Molecular Formula: C₁₄H₂₆N₄O₇
• Molecular Weight: 362.38
• CAS Registry Number: 115633-61-9
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](N)CCCCN)=O)CO)=O)CCC(=O)O
• InChI: 1S/C14H26N4O7/c15-6-2-1-3-8(16)12(22)18-10(7-19)13(23)17-9(14(24)25)4-5-11(20)21/h8-10,19H,1-7,15-16H2,(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t8-,9-,10-/m0/s1
• InChIKey: JMNRXRPBHFGXQX-GUBZILKMSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 791.762°C at 760 mmHg (Cal.)
• Flash point: 432.642°C (Cal.)