N~2~-Benzoyl-N~6~-[(benzyloxy)carbonyl]lysine

HCID 333410

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Basic information

CAS: 1946-80-1
Standard SMILES: O=C(NCCCCC(NC(=O)c1ccccc1)C(=O)O)OCc1ccccc1
InChIKey: LMIAZJBVEQLTGM-UHFFFAOYSA-N
Molecular formula: C21H24N2O5
Average molar mass: 384.4 g/mol
Monoisotopic mass: 384.16852187

Names & identifiers

Preferred name: N~2~-Benzoyl-N~6~-[(benzyloxy)carbonyl]lysine
IUPAC: 2-benzamido-6-(phenylmethoxycarbonylamino)hexanoic acid

Names & synonyms

MLS0031708441946-80-1NSC334205DTXSID60318714NSC-334205SMR001874761DS-012972N~2~-Benzoyl-N~6~-[(benzyloxy)carbonyl]lysine2-Benzamido-6-phenylmethoxycarbonylamino-hexanoic acid

Database identifiers

CAS: 1946-80-1
PubChem CID: 333410
DTXSID: DTXSID60318714

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 105 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 499

Related reactions

1 records

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HRID 161779As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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