Phenylalanyl-glycyl-valyl-statyl-alanyl-phenylalanine methyl ester
[CAS# 112317-46-1]

Identification

• Name: Phenylalanyl-glycyl-valyl-statyl-alanyl-phenylalanine methyl ester
• Synonyms: Methyl (2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-6-Methyl-Heptanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[2-[[(2S)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]-1-Oxoethyl]Amino]-3-Methyl-1-Oxobutyl]Amino]-3-Hydroxy-6-Methyl-1-Oxoheptyl]Amino]-1-Oxopropyl]Amino]-3-Phenylpropanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-[[(3S,4S)-4-[[(2S)-2-[[2-[[(2S)-2-Amino-3-Phenyl-Propanoyl]Amino]Acetyl]Amino]-3-Methyl-Butanoyl]Amino]-3-Hydroxy-6-Methyl-Heptanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₃₇H₅₄N₆O₈
• Molecular Weight: 710.87
• CAS Registry Number: 112317-46-1
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC(C[C@@H]([C@H](CC(C)C)NC([C@@H](NC(CNC([C@@H](N)CC1=CC=CC=C1)=O)=O)C(C)C)=O)O)=O)C)=O)CC2=CC=CC=C2
• InChI: 1S/C37H54N6O8/c1-22(2)17-28(30(44)20-31(45)40-24(5)34(47)42-29(37(50)51-6)19-26-15-11-8-12-16-26)41-36(49)33(23(3)4)43-32(46)21-39-35(48)27(38)18-25-13-9-7-10-14-25/h7-16,22-24,27-30,33,44H,17-21,38H2,1-6H3,(H,39,48)(H,40,45)(H,41,49)(H,42,47)(H,43,46)/t24-,27-,28-,29-,30-,33-/m0/s1
• InChIKey: PEUSZTDUWXURQK-BZRHSMGTSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 1028.206°C at 760 mmHg (Cal.)
• Flash point: 575.639°C (Cal.)