4-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(2-Methoxynaphthalen-1-Yl)Amino]-3-Phenylpropanoyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Oxobutanoic Acid
[CAS# 129219-63-2]

Identification

• Name: 4-[[(2S)-1-[[(2S)-1-[[(2S)-2-[(2-Methoxynaphthalen-1-Yl)Amino]-3-Phenylpropanoyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-4-Oxobutanoic Acid
• Synonyms: 4-[[(1S)-2-[[(1S)-1-[[(2S)-2-[(2-Methoxy-1-Naphthyl)Amino]-3-Phenyl-Propanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; 4-[[(1S)-2-[[(1S)-1-[[[(2S)-2-[(2-Methoxy-1-Naphthyl)Amino]-1-Oxo-3-Phenylpropyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; 4-[[(1S)-1-(Benzyl)-2-Keto-2-[[(1S)-1-[[(2S)-2-[(2-Methoxy-1-Naphthyl)Amino]-3-Phenyl-Propanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]Ethyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₉H₄₄N₄O₇
• Molecular Weight: 680.80
• CAS Registry Number: 129219-63-2
• SMILES: [C@H](C(=O)NC([C@@H](NC([C@@H](NC(CCC(=O)O)=O)CC1=CC=CC=C1)=O)CC(C)C)=O)(NC2=C3C(=CC=C2OC)C=CC=C3)CC4=CC=CC=C4
• InChI: 1S/C39H44N4O7/c1-25(2)22-30(42-37(47)31(23-26-12-6-4-7-13-26)40-34(44)20-21-35(45)46)38(48)43-39(49)32(24-27-14-8-5-9-15-27)41-36-29-17-11-10-16-28(29)18-19-33(36)50-3/h4-19,25,30-32,41H,20-24H2,1-3H3,(H,40,44)(H,42,47)(H,45,46)(H,43,48,49)/t30-,31-,32-/m0/s1
• InChIKey: YIPLRNXWSGRLIC-CPCREDONSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 986.292°C at 760 mmHg (Cal.)
• Flash point: 550.29°C (Cal.)