Compound Summary
Compound Information
Tilarginine Acetate
Compound Name: | Tilarginine Acetate |
Compound CID: | 135242 |
Synonyms: | Tilarginine Acetate |
Iupac Name: | acetic acid;(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid |
InChI: | InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1 |
InChIKey: | IKPNWIGTWUZCKM-JEDNCBNOSA-N |
Canonical Smiles: | CC(=O)O.CN=C(N)NCCCC(C(=O)O)N |
Isomeric Smiles: | CC(=O)O.CN=C(N)NCCC[C@@H](C(=O)O)N |
Molecular Weight: | 248.28 |
Molecular Formula: | C9H20N4O4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Tilarginine Acetate
Molecular Weight: | 248.28 |
Molecular Formula: | C9H20N4O4 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 17 |
Complexity: | 224 |
Synonyms
Tilarginine Acetate
Experimental Data
Tilarginine Acetate
Experimental Data Visualization
Tilarginine Acetate
Statistics Data
Tilarginine Acetate
Statistics Data Visualization
Tilarginine Acetate
