Methyl 2,6-bis(phenylmethoxycarbonylamino)hexanoate
Basic information
- CAS
55592-84-2- Standard SMILES
COC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
NPSCRWGIIAFLPG-UHFFFAOYSA-N- Molecular formula
- C23H28N2O6
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.19473662
Names & identifiers
- Preferred name
- Methyl 2,6-bis(phenylmethoxycarbonylamino)hexanoate
- IUPAC
- methyl 2,6-bis(phenylmethoxycarbonylamino)hexanoate
- English name
- L-Lysine, N2,N6-bis[(phenylmethoxy)carbonyl]-, methyl ester
- Molecular formula
- C23H28N2O6
- Molecular weight
- 428.48
Names & synonyms
methyl 2,6-bis(phenylmethoxycarbonylamino)hexanoateMFCD00046779NSC88471DTXSID10293305NSC-88471Methyl (2S)-2,6-Di-(Cbz-amino)-hexanoatemethyl 2,6-bis(benzyloxycarbonylamino)hexanoateMethyl n2,n6-bis((benzyloxy)carbonyl)-l-lysinateMethyl N~2~,N~6~-bis[(benzyloxy)carbonyl]lysinatemethyl (2S)-2,6-di{[(benzyloxy)carbonyl]amino}hexanoateL-Lysine, N2,N6-bis[(phenylmethoxy)carbonyl]-, methyl ester
Database identifiers
- CAS
55592-84-2- PubChem CID
- 259000
- DTXSID
DTXSID10293305
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- Boiling point
- 608.5 · 608.5±55.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 10.95 · 10.95±0.46(Predicted)
Chemistry & industry
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