2-[(2-Amino-3-Hydroxypropanoyl)Amino]-2-[2-[5-(Aminomethyl)-2-Hydroxy-4-Oxo-1,5-Dihydropyrrol-3-Yl]-2-Oxoethyl]Propanedioic Acid
[CAS# 38249-71-7]

Identification

• Name: 2-[(2-Amino-3-Hydroxypropanoyl)Amino]-2-[2-[5-(Aminomethyl)-2-Hydroxy-4-Oxo-1,5-Dihydropyrrol-3-Yl]-2-Oxoethyl]Propanedioic Acid
• Synonyms: 2-[(2-Amino-3-Hydroxy-Propanoyl)Amino]-2-[2-[5-(Aminomethyl)-2-Hydroxy-4-Oxo-1,5-Dihydropyrrol-3-Yl]-2-Oxo-Ethyl]Propanedioic Acid; 2-[(2-Amino-3-Hydroxy-1-Oxopropyl)Amino]-2-[2-[5-(Aminomethyl)-2-Hydroxy-4-Oxo-1,5-Dihydropyrrol-3-Yl]-2-Oxoethyl]Propanedioic Acid; 2-[(2-Amino-3-Hydroxy-Propanoyl)Amino]-2-[2-[5-(Aminomethyl)-2-Hydroxy-4-Keto-2-Pyrrolin-3-Yl]-2-Keto-Ethyl]Malonic Acid
• Molecular Formula: C₁₃H₁₈N₄O₉
• Molecular Weight: 374.31
• CAS Registry Number: 38249-71-7
• SMILES: C(C(NC(=O)C(N)CO)(C(O)=O)C(O)=O)C(=O)C1=C(O)NC(C1=O)CN
• InChI: 1S/C13H18N4O9/c14-2-5-8(20)7(10(22)16-5)6(19)1-13(11(23)24,12(25)26)17-9(21)4(15)3-18/h4-5,16,18,22H,1-3,14-15H2,(H,17,21)(H,23,24)(H,25,26)
• InChIKey: ICQOLJWIBJJFEH-UHFFFAOYSA-N

Properties

• Density: 1.706g/cm³ (Cal.)
• Boiling point: 842.268°C at 760 mmHg (Cal.)
• Flash point: 463.187°C (Cal.)