(2S)-2-[2-[[(1S)-1-Carboxy-2-(3H-Imidazol-4-Yl)Ethyl]Amino]Ethylamino]-5-(Diaminomethylideneamino)Pentanoic Acid
[CAS# 93361-66-1]

Identification

• Name: (2S)-2-[2-[[(1S)-1-Carboxy-2-(3H-Imidazol-4-Yl)Ethyl]Amino]Ethylamino]-5-(Diaminomethylideneamino)Pentanoic Acid
• Synonyms: (2S)-5-Guanidino-2-[2-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]Ethylamino]Pentanoic Acid; (2S)-5-Guanidino-2-[2-[[(1S)-2-Hydroxy-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]Ethylamino]Pentanoic Acid; (2S)-5-Guanidino-2-[2-[[(1S)-2-Hydro
• Molecular Formula: C₁₄H₂₅N₇O₄
• Molecular Weight: 355.40
• CAS Registry Number: 93361-66-1
• SMILES: [C@H](NCCN[C@@H](CC1=CN=C[NH]1)C(O)=O)(CCCN=C(N)N)C(O)=O
• InChI: 1S/C14H25N7O4/c15-14(16)20-3-1-2-10(12(22)23)18-4-5-19-11(13(24)25)6-9-7-17-8-21-9/h7-8,10-11,18-19H,1-6H2,(H,17,21)(H,22,23)(H,24,25)(H4,15,16,20)/t10-,11-/m0/s1
• InChIKey: LLPMPMKLOHAIMY-QWRGUYRKSA-N

Properties

• Density: 1.508g/cm³ (Cal.)
• Boiling point: 739.018°C at 760 mmHg (Cal.)
• Flash point: 400.744°C (Cal.)