1-[(2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanoyl]-L-Prolyl-L-Prolyl-L-Alaninamide
[CAS# 160470-73-5]

Identification

• Name: 1-[(2S,3R)-3-Amino-2-Hydroxy-4-Phenylbutanoyl]-L-Prolyl-L-Prolyl-L-Alaninamide
• Synonyms: Apstatin; ATN; N-[(2S,3R)-3-AMINO-2-HYDROXY-4-PHENYL-BUTANOYL]-L-PROLYL-L-PROLYL-L-ALANINAMIDE
• Molecular Formula: C₂₃H₃₃N₅O₅
• Molecular Weight: 459.54
• CAS Registry Number: 160470-73-5
• SMILES: C[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](CC3=CC=CC=C3)N)O
• InChI: 1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
• InChIKey: YVUUZAPYLPWFHE-HXFGRODQSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 864.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 476.5±34.3°C (Cal.)
• Refractive index: 1.607 (Cal.)