Phenylalanyl-glycyl-histidyl-statyl-alanyl-phenylalanine methyl ester
[CAS# 112317-45-0]

Identification

• Name: Phenylalanyl-glycyl-histidyl-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-(3H-Imidazol-4-Yl)Propanoyl]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-(3H-Imidazol-4-Yl)-1-Oxopropyl]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-(3H-Imidazol-4-Yl)Propanoyl]Amino]-3-Hydroxy-6-Methyl-Heptanoyl]Amino]Propanoyl]Amino]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₃₈H₅₂N₈O₈
• Molecular Weight: 748.88
• CAS Registry Number: 112317-45-0
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CC1=CC=CC=C1)CC2=CN=C[NH]2)(CC(C)C)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(OC)=O)C
• InChI: 1S/C38H52N8O8/c1-23(2)15-29(32(47)19-33(48)43-24(3)35(50)46-31(38(53)54-4)17-26-13-9-6-10-14-26)45-37(52)30(18-27-20-40-22-42-27)44-34(49)21-41-36(51)28(39)16-25-11-7-5-8-12-25/h5-14,20,22-24,28-32,47H,15-19,21,39H2,1-4H3,(H,40,42)(H,41,51)(H,43,48)(H,44,49)(H,45,52)(H,46,50)/t24-,28-,29-,30-,31-,32-/m0/s1
• InChIKey: OHFBCDFWQFKELV-KNIQQNQGSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 1155.808°C at 760 mmHg (Cal.)
• Flash point: 652.809°C (Cal.)