(2S)-5-(Diaminomethylideneamino)-2-[5-(6-Oxo-3H-Purin-9-Yl)Pentoxycarbonylamino]Pentanoic Acid
[CAS# 104317-64-8]

Identification

• Name: (2S)-5-(Diaminomethylideneamino)-2-[5-(6-Oxo-3H-Purin-9-Yl)Pentoxycarbonylamino]Pentanoic Acid
• Synonyms: (2S)-5-Guanidino-2-[5-(6-Oxo-3H-Purin-9-Yl)Pentoxycarbonylamino]Pentanoic Acid; (2S)-5-Guanidino-2-[[Oxo-[5-(6-Oxo-3H-Purin-9-Yl)Pentoxy]Methyl]Amino]Pentanoic Acid; (2S)-5-Guanidino-2-[5-(6-Keto-3H-Purin-9-Yl)Pentoxycarbonylamino]Valeric Acid
• Molecular Formula: C₁₇H₂₆N₈O₅
• Molecular Weight: 422.44
• CAS Registry Number: 104317-64-8
• SMILES: [C@H](NC(OCCCCC[N]1C2=C(N=C1)C(=O)N=CN2)=O)(CCCN=C(N)N)C(O)=O
• InChI: 1S/C17H26N8O5/c18-16(19)20-6-4-5-11(15(27)28)24-17(29)30-8-3-1-2-7-25-10-23-12-13(25)21-9-22-14(12)26/h9-11H,1-8H2,(H,24,29)(H,27,28)(H4,18,19,20)(H,21,22,26)/t11-/m0/s1
• InChIKey: UXOOSQUBNBVHPO-NSHDSACASA-N

Properties

• Density: 1.55g/cm³ (Cal.)