Methyl (2S)-2-[[(2S)-2-[[(2S)-2-(Carbamoylamino)-4-Methylsulfanylbutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoate
[CAS# 131924-30-6]

Identification

• Name: Methyl (2S)-2-[[(2S)-2-[[(2S)-2-(Carbamoylamino)-4-Methylsulfanylbutanoyl]Amino]-4-Methylpentanoyl]Amino]-3-Phenylpropanoate
• Synonyms: Methyl (2S)-2-[[(2S)-4-Methyl-2-[[(2S)-4-Methylsulfanyl-2-Ureido-Butanoyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(2S)-4-Methyl-2-[[(2S)-4-(Methylthio)-1-Oxo-2-Ureidobutyl]Amino]-1-Oxopentyl]Amino]-3-Phenylpropanoic Acid Methyl Ester; (2S)-2-[[(2S)-4-Methyl-2-[[(2S)-4-(Methylthio)-2-Ureido-Butanoyl]Amino]Pentanoyl]Amino]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₂₂H₃₄N₄O₅S
• Molecular Weight: 466.59
• CAS Registry Number: 131924-30-6
• SMILES: [C@H](C(=O)OC)(NC([C@@H](NC([C@@H](NC(=O)N)CCSC)=O)CC(C)C)=O)CC1=CC=CC=C1
• InChI: 1S/C22H34N4O5S/c1-14(2)12-17(24-19(27)16(10-11-32-4)26-22(23)30)20(28)25-18(21(29)31-3)13-15-8-6-5-7-9-15/h5-9,14,16-18H,10-13H2,1-4H3,(H,24,27)(H,25,28)(H3,23,26,30)/t16-,17-,18-/m0/s1
• InChIKey: MKFOYXMTFYIGAK-BZSNNMDCSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 712.105°C at 760 mmHg (Cal.)
• Flash point: 384.468°C (Cal.)