N-Formyl-L-Methionyl-(2Z)-2,3-Didehydroleucyl-L-Phenylalanine Methyl Ester
[CAS# 137320-56-0]

Identification

• Name: N-Formyl-L-Methionyl-(2Z)-2,3-Didehydroleucyl-L-Phenylalanine Methyl Ester
• Synonyms: Methyl (2S)-2-[[(E)-2-[[(2S)-2-Formamido-4-Methylsulfanyl-Butanoyl]Amino]-4-Methyl-Pent-2-Enoyl]Amino]-3-Phenyl-Propanoate; (2S)-2-[[(E)-2-[[(2S)-2-Formamido-4-(Methylthio)-1-Oxobutyl]Amino]-4-Methyl-1-Oxopent-2-Enyl]Amino]-3-Phenylpropanoic Acid Methyl Ester; (2S)-2-[[(E)-2-[[(2S)-2-Formamido-4-(Methylthio)Butanoyl]Amino]-4-Methyl-Pent-2-Enoyl]Amino]-3-Phenyl-Propionic Acid Methyl Ester
• Molecular Formula: C₂₂H₃₁N₃O₅S
• Molecular Weight: 449.56
• CAS Registry Number: 137320-56-0
• SMILES: [C@@H](NC(=O)\C(NC(=O)[C@@H](NC=O)CCSC)=C/C(C)C)(C(OC)=O)CC1=CC=CC=C1
• InChI: 1S/C22H31N3O5S/c1-15(2)12-18(24-20(27)17(23-14-26)10-11-31-4)21(28)25-19(22(29)30-3)13-16-8-6-5-7-9-16/h5-9,12,14-15,17,19H,10-11,13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)/b18-12+/t17-,19-/m0/s1
• InChIKey: BBZRVOZGTAYAPS-GDEFMPCUSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 768.555°C at 760 mmHg (Cal.)
• Flash point: 418.607°C (Cal.)