L-Valylglycyl-N-[(1S)-1,3-dicarboxylatopropyl]-L-alpha-asparagine
[CAS# 99624-52-9]

Identification

• Name: L-Valylglycyl-N-[(1S)-1,3-dicarboxylatopropyl]-L-alpha-asparagine
• Synonyms: N-(N-(N-L-VALYLGLYCYL)-L-α-ASPARTYL)-L-GLUTAMATE
• Molecular Formula: C₁₆H₂₄N₄O₉
• Molecular Weight: 416.38
• CAS Registry Number: 99624-52-9
• SMILES: CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N
• InChI: 1S/C16H26N4O9/c1-7(2)13(17)15(27)18-6-10(21)19-9(5-12(24)25)14(26)20-8(16(28)29)3-4-11(22)23/h7-9,13H,3-6,17H2,1-2H3,(H,18,27)(H,19,21)(H,20,26)(H,22,23)(H,24,25)(H,28,29)/p-2/t8-,9-,13-/m0/s1
• InChIKey: UNOPRHLQSPTPBF-RVBZMBCESA-L

Properties

• Boiling point: 884.105°C at 760 mmHg (Cal.)
• Flash point: 488.489°C (Cal.)