Fmoc-O-benzyl-D-threonine

HCID 4446312

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(OCc1ccccc1)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey: UCDMMWCWPVCHLL-UHFFFAOYSA-N
Molecular formula: C26H25NO5
Average molar mass: 431.5 g/mol

Names & identifiers

Preferred name: Fmoc-O-benzyl-D-threonine
IUPAC: 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoic acid

Names & synonyms

Fmoc-O-benzyl-D-threonineSCHEMBL155213273-benzyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzyloxy)butanoic acid

Database identifiers

PubChem CID: 4446312

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 84.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 32
Formal charge: 0
Complexity: 612

Related reactions

2 records

New reaction record

HRID 161941As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1149544As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…