3-({N-[(Benzyloxy)Carbonyl]-L-Valyl}Amino)-5-Fluoro-4-Oxopentanoic Acid
[CAS# 582316-00-5]

Identification

• Name: 3-({N-[(Benzyloxy)Carbonyl]-L-Valyl}Amino)-5-Fluoro-4-Oxopentanoic Acid
• Synonyms: 3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-5-fluoro-4-oxo-pentanoic acid; Pentanoic acid,5-fluoro-3-[[(2S)-3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-4-oxo-
• Molecular Formula: C₁₈H₂₃FN₂O₆
• Molecular Weight: 382.38
• CAS Registry Number: 582316-00-5
• SMILES: CC(C)[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1
• InChI: 1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1
• InChIKey: LYBWGROBJJXCJJ-VYIIXAMBSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 639.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 340.7±31.5°C (Cal.)
• Refractive index: 1.523 (Cal.)