6-[4-Amino-5-(Hydroxymethyl)-2-Oxopyrimidin-1-Yl]-3-[[3-[(2-Amino-4-Methylpentanoyl)Amino]-5-(Carbamimidoyl-Methylamino)Pentanoyl]Amino]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
[CAS# 108351-49-1]

Identification

• Name: 6-[4-Amino-5-(Hydroxymethyl)-2-Oxopyrimidin-1-Yl]-3-[[3-[(2-Amino-4-Methylpentanoyl)Amino]-5-(Carbamimidoyl-Methylamino)Pentanoyl]Amino]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Synonyms: 6-[4-Amino-5-(Hydroxymethyl)-2-Oxo-Pyrimidin-1-Yl]-3-[[3-[(2-Amino-4-Methyl-Pentanoyl)Amino]-5-(Carbamimidoyl-Methyl-Amino)Pentanoyl]Amino]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; 6-[4-Amino-5-(Hydroxymethyl)-2-Oxo-1-Pyrimidinyl]-3-[[3-[(2-Amino-4-Methyl-1-Oxopentyl)Amino]-5-(Carbamimidoyl-Methylamino)-1-Oxopentyl]Amino]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; 3-[[5-(Amidino-Methyl-Amino)-3-[(2-Amino-4-Methyl-Pentanoyl)Amino]Pentanoyl]Amino]-6-(4-Amino-2-Keto-5-Methylol-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₂₄H₃₉N₉O₇
• Molecular Weight: 565.63
• CAS Registry Number: 108351-49-1
• SMILES: C(O)C2=CN(C1OC(C(NC(=O)CC(NC(=O)C(N)CC(C)C)CCN(C(=N)N)C)C=C1)C(=O)O)C(=O)N=C2N
• InChI: 1S/C24H39N9O7/c1-12(2)8-15(25)21(36)29-14(6-7-32(3)23(27)28)9-17(35)30-16-4-5-18(40-19(16)22(37)38)33-10-13(11-34)20(26)31-24(33)39/h4-5,10,12,14-16,18-19,34H,6-9,11,25H2,1-3H3,(H3,27,28)(H,29,36)(H,30,35)(H,37,38)(H2,26,31,39)
• InChIKey: MGPVTRZZQCEQDF-UHFFFAOYSA-N

Properties

• Density: 1.522g/cm³ (Cal.)