FMOC-L-Leucine   

GtoPdb Ligand ID: 2705

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 75.63
Molecular weight 353.16
XLogP 4.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
Isomeric SMILES CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChI Key CBPJQFCAFFNICX-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
Database Links
BindingDB Ligand 50034787
CAS Registry No. 35661-60-0 (source: NCI)
ChEMBL Ligand CHEMBL294989
GtoPdb PubChem SID 135650280
PubChem CID 4308
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