(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxypropanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-6-Aminohexanoyl]Pyrrolidine-2-Carboxylic Acid
[CAS# 120081-14-3]

Identification

• Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxypropanoyl]Amino]-4-Hydroxy-4-Oxobutanoyl]Amino]-6-Aminohexanoyl]Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Oxo-Butanoyl]Amino]-6-Amino-Hexanoyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-1-Oxopropyl]Amino]-4-Hydroxy-1,4-Dioxobutyl]Amino]-6-Amino-1-Oxohexyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-Acetamido-3-Hydroxy-Propanoyl]Amino]-4-Hydroxy-4-Keto-Butanoyl]Amino]-6-Amino-Hexanoyl]Proline
• Molecular Formula: C₂₀H₃₃N₅O₉
• Molecular Weight: 487.51
• CAS Registry Number: 120081-14-3
• SMILES: [C@@H]1(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CO)CC(=O)O)CCCCN)CCC1)C(=O)O
• InChI: 1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1
• InChIKey: HJDRXEQUFWLOGJ-AJNGGQMLSA-N

Properties

• Density: 1.383g/cm³ (Cal.)
• Boiling point: 991.976°C at 760 mmHg (Cal.)
• Flash point: 553.727°C (Cal.)