4-((2S,4R)-4-Hydroxy-5-iminoprolyl)amino-N-(2-amidinoethenyl)-2-pyrrolecarboxamide
[CAS# 111631-13-1]

Identification

• Name: 4-((2S,4R)-4-Hydroxy-5-iminoprolyl)amino-N-(2-amidinoethenyl)-2-pyrrolecarboxamide
• Synonyms: 4-[[(2S,4R)-5-Amino-4-Hydroxy-3,4-Dihydro-2H-Pyrrole-2-Carbonyl]Amino]-N-(3,3-Diaminoprop-2-Enylidene)-1H-Pyrrole-2-Carboxamide; 4-[[[(2S,4R)-5-Amino-4-Hydroxy-3,4-Dihydro-2H-Pyrrol-2-Yl]-Oxomethyl]Amino]-N-(3,3-Diaminoprop-2-Enylidene)-1H-Pyrrole-2-Carboxamide; 4-[[(2S,4R)-5-Amino-4-Hydroxy-1-Pyrroline-2-Carbonyl]Amino]-N-(3,3-Diaminoprop-2-Enylidene)-1H-Pyrrole-2-Carboxamide
• Molecular Formula: C₁₃H₁₇N₇O₃
• Molecular Weight: 319.32
• CAS Registry Number: 111631-13-1
• SMILES: [C@@H]1(N=C(N)[C@H](O)C1)C(=O)NC2=C[NH]C(=C2)C(=O)N=CC=C(N)N
• InChI: 1S/C13H17N7O3/c14-10(15)1-2-17-12(22)7-3-6(5-18-7)19-13(23)8-4-9(21)11(16)20-8/h1-3,5,8-9,18,21H,4,14-15H2,(H2,16,20)(H,19,23)/t8-,9+/m0/s1
• InChIKey: FEZFZAMQERADMD-DTWKUNHWSA-N

Properties

• Density: 1.718g/cm³ (Cal.)