3-[[2-Amino-5-(Carbamimidoyl-Methylamino)-3-Methylpentanoyl]Amino]-6-(4-Amino-2-Oxopyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
[CAS# 106133-33-9]

Identification

• Name: 3-[[2-Amino-5-(Carbamimidoyl-Methylamino)-3-Methylpentanoyl]Amino]-6-(4-Amino-2-Oxopyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Synonyms: 3-[[2-Amino-5-(Carbamimidoyl-Methyl-Amino)-3-Methyl-Pentanoyl]Amino]-6-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; 3-[[2-Amino-5-(Carbamimidoyl-Methylamino)-3-Methyl-1-Oxopentyl]Amino]-6-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; 3-[[5-(Amidino-Methyl-Amino)-2-Amino-3-Methyl-Pentanoyl]Amino]-6-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₈N₈O₅
• Molecular Weight: 436.47
• CAS Registry Number: 106133-33-9
• SMILES: C(C(C)C(N)C(=O)NC1C=CC(OC1C(O)=O)N2C=CC(=NC2=O)N)CN(C)C(N)=N
• InChI: 1S/C18H28N8O5/c1-9(5-7-25(2)17(21)22)13(20)15(27)23-10-3-4-12(31-14(10)16(28)29)26-8-6-11(19)24-18(26)30/h3-4,6,8-10,12-14H,5,7,20H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29)(H2,19,24,30)
• InChIKey: QHXNKYPHTJBRJV-UHFFFAOYSA-N

Properties

• Density: 1.575g/cm³ (Cal.)