Methyl 2-[[(2S)-1-[[(2S)-2-Formamido-4-Methylsulfanylbutanoyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1,3-Dihydroindene-2-Carboxylate
[CAS# 134406-59-0]

Identification

• Name: Methyl 2-[[(2S)-1-[[(2S)-2-Formamido-4-Methylsulfanylbutanoyl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-1,3-Dihydroindene-2-Carboxylate
• Synonyms: Methyl 2-[[(1S)-1-[[(2S)-2-Formamido-4-Methylsulfanyl-Butanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]Indane-2-Carboxylate; 2-[[(1S)-1-[[[(2S)-2-Formamido-4-(Methylthio)-1-Oxobutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Indanecarboxylic Acid Methyl Ester; 2-[[(1S)-1-[[(2S)-2-Formamido-4-(Methylthio)Butanoyl]Carbamoyl]-3-Methyl-Butyl]Amino]Indane-2-Carboxylic Acid Methyl Ester
• Molecular Formula: C₂₃H₃₃N₃O₅S
• Molecular Weight: 463.59
• CAS Registry Number: 134406-59-0
• SMILES: [C@H](C(=O)NC([C@@H](NC=O)CCSC)=O)(NC1(CC2=C(C1)C=CC=C2)C(=O)OC)CC(C)C
• InChI: 1S/C23H33N3O5S/c1-15(2)11-19(21(29)25-20(28)18(24-14-27)9-10-32-4)26-23(22(30)31-3)12-16-7-5-6-8-17(16)13-23/h5-8,14-15,18-19,26H,9-13H2,1-4H3,(H,24,27)(H,25,28,29)/t18-,19-/m0/s1
• InChIKey: SJRDFGYKANPGLS-OALUTQOASA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 672.094°C at 760 mmHg (Cal.)
• Flash point: 360.269°C (Cal.)