L-NAME   

GtoPdb Ligand ID: 5213

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 146.05
Molecular weight 233.11
XLogP 0.6
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COC(=O)C(CCCNC(=N)NN(=O)=O)N
Isomeric SMILES COC(=O)[C@H](CCCNC(=N)NN(=O)=O)N
InChI InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
InChI Key KCWZGJVSDFYRIX-YFKPBYRVSA-N
Classification
Compound class Synthetic organic
IUPAC Name
methyl (2S)-2-amino-5-(1-nitrocarbamimidamido)pentanoate
Database Links
CAS Registry No. 50903-99-6
ChEMBL Ligand CHEMBL7890
GtoPdb PubChem SID 178101898
PubChem CID 39836
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