Methyl (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Formamido-3-Sulfanylpropanoyl]Amino]-4-Methylpent-4-Enoyl]Amino]-3-Phenylpropanoyl]Amino]-3-Sulfanylpropanoate
[CAS# 153824-53-4]

Identification

• Name: Methyl (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Formamido-3-Sulfanylpropanoyl]Amino]-4-Methylpent-4-Enoyl]Amino]-3-Phenylpropanoyl]Amino]-3-Sulfanylpropanoate
• Synonyms: Methyl (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Formamido-3-Sulfanyl-Propanoyl]Amino]-4-Methyl-Pent-4-Enoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Sulfanyl-Propanoate; (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Formamido-3-Mercapto-1-Oxopropyl]Amino]-4-Methyl-1-Oxopent-4-Enyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-3-Mercaptopropanoic Acid Methyl Ester; (2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-Formamido-3-Mercapto-Propanoyl]Amino]-4-Methyl-Pent-4-Enoyl]Amino]-3-Phenyl-Propanoyl]Amino]-3-Mercapto-Propionic Acid Methyl Ester
• Molecular Formula: C₂₃H₃₂N₄O₆S₂
• Molecular Weight: 524.65
• CAS Registry Number: 153824-53-4
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC([C@@H](NC([C@@H](NC=O)CS)=O)CC(C)=C)=O)CC1=CC=CC=C1)=O)CS
• InChI: 1S/C23H32N4O6S2/c1-14(2)9-16(25-22(31)18(11-34)24-13-28)20(29)26-17(10-15-7-5-4-6-8-15)21(30)27-19(12-35)23(32)33-3/h4-8,13,16-19,34-35H,1,9-12H2,2-3H3,(H,24,28)(H,25,31)(H,26,29)(H,27,30)/t16-,17-,18-,19-/m0/s1
• InChIKey: BZXJXEUUUIALCJ-VJANTYMQSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 869.466°C at 760 mmHg (Cal.)
• Flash point: 479.636°C (Cal.)