(2S)-2-Amino-5-[[1-(Carboxymethylamino)-1-Oxo-3-(1,2,2-Trichloroethenylsulfanyl)Propan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 111574-85-7]

Identification

• Name: (2S)-2-Amino-5-[[1-(Carboxymethylamino)-1-Oxo-3-(1,2,2-Trichloroethenylsulfanyl)Propan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[2-(Carboxymethylamino)-2-Oxo-1-(1,2,2-Trichlorovinylsulfanylmethyl)Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[2-(Carboxymethylamino)-2-Oxo-1-[(1,2,2-Trichlorovinylthio)Methyl]Ethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[2-(Carboxymethylamino)-2-Keto-1-[(1,2,2-Trichlorovinylthio)Methyl]Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₂H₁₆Cl₃N₃O₆S
• Molecular Weight: 436.69
• CAS Registry Number: 111574-85-7
• SMILES: [C@H](CCC(NC(CSC(Cl)=C(Cl)Cl)C(=O)NCC(O)=O)=O)(C(O)=O)N
• InChI: 1S/C12H16Cl3N3O6S/c13-9(14)10(15)25-4-6(11(22)17-3-8(20)21)18-7(19)2-1-5(16)12(23)24/h5-6H,1-4,16H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)/t5-,6?/m0/s1
• InChIKey: ZGVLZGGEFXEFQB-ZBHICJROSA-N

Properties

• Density: 1.597g/cm³ (Cal.)
• Boiling point: 770.629°C at 760 mmHg (Cal.)
• Flash point: 419.861°C (Cal.)