(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[(2-Aminoacetyl)-Ethylamino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
[CAS# 169543-49-1]

Identification

• Name: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[(2-Aminoacetyl)-Ethylamino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-(Diaminomethylideneamino)Pentanoic Acid
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[(2-Aminoacetyl)-Ethyl-Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Pentanoic Acid; (2S)-2-[[[(2S)-1-[(2S)-6-Amino-2-[(2-Amino-1-Oxoethyl)-Ethylamino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-5-Guanidinopentanoic Acid; (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-(Ethyl-Glycyl-Amino)Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-5-Guanidino-Valeric Acid
• Molecular Formula: C₂₁H₄₀N₈O₅
• Molecular Weight: 484.60
• CAS Registry Number: 169543-49-1 (192333-19-0)
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@@H](N(CC)C(=O)CN)CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
• InChI: 1S/C21H40N8O5/c1-2-28(17(30)13-23)16(8-3-4-10-22)19(32)29-12-6-9-15(29)18(31)27-14(20(33)34)7-5-11-26-21(24)25/h14-16H,2-13,22-23H2,1H3,(H,27,31)(H,33,34)(H4,24,25,26)/t14-,15-,16-/m0/s1
• InChIKey: LPKPGXJXCZNDJO-JYJNAYRXSA-N

Properties

• Density: 1.403g/cm³ (Cal.)