(2S)-1-[(2S)-2-[[(2S)-9-Amino-1-Hydroxy-1-Oxononan-2-Yl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 120008-53-9]

Identification

• Name: (2S)-1-[(2S)-2-[[(2S)-9-Amino-1-Hydroxy-1-Oxononan-2-Yl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[(1S)-8-Amino-1-Carboxy-Octyl]Amino]Propanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(1S)-8-Amino-1-Carboxyoctyl]Amino]-1-Oxopropyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(1S)-8-Amino-1-Carboxy-Octyl]Amino]Propanoyl]Proline
• Molecular Formula: C₁₇H₃₁N₃O₅
• Molecular Weight: 357.45
• CAS Registry Number: 120008-53-9
• SMILES: [C@@H]1(N(C(=O)[C@@H](N[C@H](C(=O)O)CCCCCCCN)C)CCC1)C(=O)O
• InChI: 1S/C17H31N3O5/c1-12(15(21)20-11-7-9-14(20)17(24)25)19-13(16(22)23)8-5-3-2-4-6-10-18/h12-14,19H,2-11,18H2,1H3,(H,22,23)(H,24,25)/t12-,13-,14-/m0/s1
• InChIKey: BVFMABDUHNUCMQ-IHRRRGAJSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 596.486°C at 760 mmHg (Cal.)
• Flash point: 314.543°C (Cal.)