Methyl (2S)-2-[[(2S)-2-[[(2S)-2-Formyloxy-4-Methylsulfanylbutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoate
[CAS# 151460-10-5]

Identification

• Name: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-Formyloxy-4-Methylsulfanylbutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoate
• Synonyms: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-Formyloxy-4-Methylsulfanyl-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(2S)-2-[[(2S)-2-Formyloxy-4-(Methylthio)-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid Methyl Ester; (2S)-2-[[(2S)-2-[[(2S)-2-Formyloxy-4-(Methylthio)Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₂₂H₃₂N₂O₆S
• Molecular Weight: 452.56
• CAS Registry Number: 151460-10-5
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC([C@H](CCSC)OC=O)=O)CC(C)C)=O)CC1=CC=CC=C1
• InChI: 1S/C22H32N2O6S/c1-15(2)12-17(23-21(27)19(30-14-25)10-11-31-4)20(26)24-18(22(28)29-3)13-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3,(H,23,27)(H,24,26)/t17-,18-,19-/m0/s1
• InChIKey: FUXWJHUPEXJTCH-FHWLQOOXSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 669.366°C at 760 mmHg (Cal.)
• Flash point: 358.62°C (Cal.)