2-[[2-(Benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butyric acid
[CAS# 18830-16-5]

Identification

• Name: 2-[[2-(Benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-4-(methylthio)butyric acid
• Synonyms: 2-[[4-Methyl-2-(Phenylmethoxycarbonylamino)Pentanoyl]Amino]-4-Methylsulfanyl-Butanoic Acid; 2-[[4-Methyl-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Pentyl]Amino]-4-(Methylthio)Butanoic Acid; 2-[[2-(Benzyloxycarbonylamino)-4-Methyl-Pentanoyl]Amino]-4-(Methylthio)Butyric Acid
• Molecular Formula: C₁₉H₂₈N₂O₅S
• Molecular Weight: 396.50
• CAS Registry Number: 18830-16-5
• EINECS: 242-612-2
• SMILES: C1=CC=CC=C1COC(NC(C(NC(CCSC)C(O)=O)=O)CC(C)C)=O
• InChI: 1S/C19H28N2O5S/c1-13(2)11-16(17(22)20-15(18(23)24)9-10-27-3)21-19(25)26-12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)
• InChIKey: IZPLXRUAUHMTGJ-UHFFFAOYSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 649.121°C at 760 mmHg (Cal.)
• Flash point: 346.376°C (Cal.)