(1s,2s,3r,4r)-Methyl 3-((r)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate

Base Information

• Chemical Name: (1s,2s,3r,4r)-Methyl 3-((r)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate
• CAS No.: 229614-51-1
• Molecular Formula: C16H30N4O4
• Molecular Weight: 342.43
• Mol file: 229614-51-1.mol

Synonyms:(1s,2s,3r,4r)-methyl 3-((r)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate;229614-51-1;methyl (1S,2S,3S,4R)-3-[(1R)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylate;C16H30N4O4;(1s,2s,3r,4r)-methyl3-((r)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate

Chemical Property of (1s,2s,3r,4r)-Methyl 3-((r)-1-acetamido-2-ethylbutyl)-4-guanidino-2-hydroxycyclopentanecarboxylate

Chemical Property:

• PKA: 14.37±0.70(Predicted)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 342.22670545
• Heavy Atom Count: 24
• Complexity: 475

Purity/Quality:

99% ^*data from raw suppliers

(1S,2S,3R,4R)-METHYL-3-((R)-1-ACETAMIDO-2-ETHYLBUTYL)-4-GUANIDINO-2-HYDROXYCYCLOPENTANE CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)C(C1C(CC(C1O)C(=O)OC)N=C(N)N)NC(=O)C
• Isomeric SMILES: CCC(CC)[C@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)OC)N=C(N)N)NC(=O)C