(2S)-2-[[(2S)-6-Amino-2-[[(2S)-1-[(2S)-Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
[CAS# 103745-46-6]

Identification

• Name: (2S)-2-[[(2S)-6-Amino-2-[[(2S)-1-[(2S)-Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
• Synonyms: (2S)-2-[[(2S)-6-Amino-2-[[(2S)-1-[(2S)-Pyrrolidine-2-Carbonyl]Pyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[(2S)-6-Amino-1-Oxo-2-[[Oxo-[(2S)-1-[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]-2-Pyrrolidinyl]Methyl]Amino]Hexyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-6-Amino-2-[[(2S)-1-Prolylpyrrolidine-2-Carbonyl]Amino]Hexanoyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₂H₄₀N₈O₅
• Molecular Weight: 496.61
• CAS Registry Number: 103745-46-6
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H]2NCCC2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C22H40N8O5/c23-10-2-1-6-14(18(31)29-16(21(34)35)8-4-12-27-22(24)25)28-19(32)17-9-5-13-30(17)20(33)15-7-3-11-26-15/h14-17,26H,1-13,23H2,(H,28,32)(H,29,31)(H,34,35)(H4,24,25,27)/t14-,15-,16-,17-/m0/s1
• InChIKey: WUUNPBLZLWVARQ-QAETUUGQSA-N

Properties

• Density: 1.479g/cm³ (Cal.)