Pyridin-3-Ylmethyl N-[(2S,4S,5S)-4-Hydroxy-5-[[(2S)-3-Methyl-2-(Pyridin-2-Ylmethoxycarbonylamino)Butanoyl]Amino]-1,6-Di(Phenyl)Hexan-2-Yl]Carbamate
[CAS# 144141-97-9]

Identification

• Name: Pyridin-3-Ylmethyl N-[(2S,4S,5S)-4-Hydroxy-5-[[(2S)-3-Methyl-2-(Pyridin-2-Ylmethoxycarbonylamino)Butanoyl]Amino]-1,6-Di(Phenyl)Hexan-2-Yl]Carbamate
• Synonyms: 3-Pyridylmethyl N-[(1S,3S,4S)-3-Hydroxy-4-[[(2S)-3-Methyl-2-(2-Pyridylmethoxycarbonylamino)Butanoyl]Amino]-5-Phenyl-1-(Phenylmethyl)Pentyl]Carbamate; N-[(1S,3S,4S)-3-Hydroxy-4-[[(2S)-3-Methyl-1-Oxo-2-[[Oxo-(2-Pyridylmethoxy)Methyl]Amino]Butyl]Amino]-5-Phenyl-1-(Phenylmethyl)Pentyl]Carbamic Acid 3-Pyridylmethyl Ester; N-[(1S,3S,4S)-1-(Benzyl)-3-Hydroxy-4-[[(2S)-3-Methyl-2-(2-Pyridylmethoxycarbonylamino)Butanoyl]Amino]-5-Phenyl-Pentyl]Carbamic Acid 3-Pyridylmethyl Ester
• Molecular Formula: C₃₇H₄₃N₅O₆
• Molecular Weight: 653.78
• CAS Registry Number: 144141-97-9
• SMILES: [C@@H](NC(OCC1=CN=CC=C1)=O)(C[C@H](O)[C@@H](NC(=O)[C@@H](NC(OCC2=CC=CC=N2)=O)C(C)C)CC3=CC=CC=C3)CC4=CC=CC=C4
• InChI: 1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1
• InChIKey: SSIBMWPFXYSVEK-CUPIEXAXSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 896.881°C at 760 mmHg (Cal.)
• Flash point: 496.216°C (Cal.)