(2S,3S)-3-[[(3S)-3-Amino-5-(Carbamimidoyl-Methylamino)Pentanoyl]Amino]-6-[4-Amino-5-(Hydroxymethyl)-2-Oxopyrimidin-1-Yl]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
[CAS# 123067-52-7]

Identification

• Name: (2S,3S)-3-[[(3S)-3-Amino-5-(Carbamimidoyl-Methylamino)Pentanoyl]Amino]-6-[4-Amino-5-(Hydroxymethyl)-2-Oxopyrimidin-1-Yl]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Synonyms: (2S,3S)-3-[[(3S)-3-Amino-5-(Carbamimidoyl-Methyl-Amino)Pentanoyl]Amino]-6-[4-Amino-5-(Hydroxymethyl)-2-Oxo-Pyrimidin-1-Yl]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S)-3-[[(3S)-3-Amino-5-(Carbamimidoyl-Methylamino)-1-Oxopentyl]Amino]-6-[4-Amino-5-(Hydroxymethyl)-2-Oxo-1-Pyrimidinyl]-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid; (2S,3S)-3-[[(3S)-5-(Amidino-Methyl-Amino)-3-Amino-Pentanoyl]Amino]-6-(4-Amino-2-Keto-5-Methylol-Pyrimidin-1-Yl)-3,6-Dihydro-2H-Pyran-2-Carboxylic Acid
• Molecular Formula: C₁₈H₂₈N₈O₆
• Molecular Weight: 452.47
• CAS Registry Number: 123067-52-7
• SMILES: N2(C1O[C@@H]([C@@H](NC(=O)C[C@@H](N)CCN(C(=N)N)C)C=C1)C(=O)O)C(=O)N=C(N)C(=C2)CO
• InChI: 1S/C18H28N8O6/c1-25(17(21)22)5-4-10(19)6-12(28)23-11-2-3-13(32-14(11)16(29)30)26-7-9(8-27)15(20)24-18(26)31/h2-3,7,10-11,13-14,27H,4-6,8,19H2,1H3,(H3,21,22)(H,23,28)(H,29,30)(H2,20,24,31)/t10-,11-,13?,14-/m0/s1
• InChIKey: MDTSQXWUAJPTCD-YOKAQCHCSA-N