(2S)-5-[[(2R)-1-(Carboxymethylamino)-1-Oxo-3-Sulfanylpropan-2-Yl]Amino]-2-(2,5-Dioxopyrrol-1-Yl)-5-Oxopentanoic Acid
[CAS# 137593-43-2]

Identification

• Name: (2S)-5-[[(2R)-1-(Carboxymethylamino)-1-Oxo-3-Sulfanylpropan-2-Yl]Amino]-2-(2,5-Dioxopyrrol-1-Yl)-5-Oxopentanoic Acid
• Synonyms: (2S)-5-[[(1R)-2-(Carboxymethylamino)-2-Oxo-1-(Sulfanylmethyl)Ethyl]Amino]-2-(2,5-Dioxopyrrol-1-Yl)-5-Oxo-Pentanoic Acid; (2S)-5-[[(1R)-2-(Carboxymethylamino)-1-(Mercaptomethyl)-2-Oxoethyl]Amino]-2-(2,5-Dioxo-1-Pyrrolyl)-5-Oxopentanoic Acid; (2S)-5-[[(1R)-2-(Carboxymethylamino)-2-Keto-1-(Mercaptomethyl)Ethyl]Amino]-5-Keto-2-Maleimido-Valeric Acid
• Molecular Formula: C₁₄H₁₇N₃O₈S
• Molecular Weight: 387.36
• CAS Registry Number: 137593-43-2
• SMILES: [C@H](N1C(C=CC1=O)=O)(CCC(N[C@H](C(NCC(O)=O)=O)CS)=O)C(=O)O
• InChI: 1S/C14H17N3O8S/c18-9(16-7(6-26)13(23)15-5-12(21)22)2-1-8(14(24)25)17-10(19)3-4-11(17)20/h3-4,7-8,26H,1-2,5-6H2,(H,15,23)(H,16,18)(H,21,22)(H,24,25)/t7-,8-/m0/s1
• InChIKey: RLINWINCQATEGU-YUMQZZPRSA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 852.736°C at 760 mmHg (Cal.)
• Flash point: 469.518°C (Cal.)