(1R,2R,3S,4S)-rel-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-Cyclopentanecarboxylic acid
[CAS# 229614-56-6]

Identification

• Name: (1R,2R,3S,4S)-rel-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-[(aminoiminomethyl)amino]-2-hydroxy-Cyclopentanecarboxylic acid
• Synonyms: (1S,2S,3S,4R)-3-[(1S)-1-Acetamido-2-Ethyl-Butyl]-4-Guanidino-2-Hydroxy-Cyclopentane-1-Carboxylic Acid; (1S,2S,3S,4R)-3-[(1S)-1-Acetamido-2-Ethylbutyl]-4-Guanidino-2-Hydroxy-1-Cyclopentanecarboxylic Acid; (1S,2S,3S,4R)-3-[(1S)-1-Acetamido-2-Ethyl-Butyl]-4-(Diaminomethylideneamino)-2-Hydroxy-Cyclopentane-1-Carboxylic Acid
• Molecular Formula: C₁₅H₂₈N₄O₄
• Molecular Weight: 328.41
• CAS Registry Number: 229614-56-6
• SMILES: [C@H]1([C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O)[C@@H](NC(=O)C)C(CC)CC
• InChI: 1S/C15H28N4O4/c1-4-8(5-2)12(18-7(3)20)11-10(19-15(16)17)6-9(13(11)21)14(22)23/h8-13,21H,4-6H2,1-3H3,(H,18,20)(H,22,23)(H4,16,17,19)/t9-,10+,11+,12-,13+/m0/s1
• InChIKey: XRQDFNLINLXZLB-CKIKVBCHSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)

References

• (1): Ulrike Grienke, Michaela Schmidtke, Susanne von Grafenstein, Johannes Kirchmair, Klaus R. Liedl and Judith M. Rollinger. Influenza neuraminidase: A druggable target for natural products, Nat. Prod. Rep., 2012, 29, 11.