4-[[(2S)-2-[(4-Chlorobenzoyl)Amino]-4-Methylsulfanyl-Butanoyl]-(4-Methoxyphenyl)Amino]Butanoic Acid
[CAS# 71489-32-2]

Identification

• Name: 4-[[(2S)-2-[(4-Chlorobenzoyl)Amino]-4-Methylsulfanyl-Butanoyl]-(4-Methoxyphenyl)Amino]Butanoic Acid
• Synonyms: 4-[[(2S)-2-[(4-Chlorobenzoyl)Amino]-4-Methylsulfanyl-Butanoyl]-(4-Methoxyphenyl)Amino]Butanoic Acid; 4-[[(2S)-2-[[(4-Chlorophenyl)-Oxomethyl]Amino]-4-(Methylthio)-1-Oxobutyl]-(4-Methoxyphenyl)Amino]Butanoic Acid; 4-[[(2S)-2-[(4-Chlorobenzoyl)Amino]-4-(Methylthio)Butanoyl]-(4-Methoxyphenyl)Amino]Butyric Acid
• Molecular Formula: C₂₃H₂₇ClN₂O₅S
• Molecular Weight: 478.99
• CAS Registry Number: 71489-32-2
• SMILES: [C@@H](C(N(CCCC(=O)O)C1=CC=C(C=C1)OC)=O)(CCSC)NC(C2=CC=C(C=C2)Cl)=O
• InChI: 1S/C23H27ClN2O5S/c1-31-19-11-9-18(10-12-19)26(14-3-4-21(27)28)23(30)20(13-15-32-2)25-22(29)16-5-7-17(24)8-6-16/h5-12,20H,3-4,13-15H2,1-2H3,(H,25,29)(H,27,28)/t20-/m0/s1
• InChIKey: GSLBPPQCMKIKDT-FQEVSTJZSA-N

Properties

• Density: 1.295g/cm³ (Cal.)
• Boiling point: 726.82°C at 760 mmHg (Cal.)
• Flash point: 393.367°C (Cal.)