L-Leucine, N-(S-(triphenylmethyl)-L-cysteinyl)-, methyl ester, monohydrochloride
Basic information
- CAS
35959-71-8- Standard SMILES
COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.Cl- InChIKey
XKKUFVJTJOGHTI-CCQIZPNASA-N- Molecular formula
- C29H35ClN2O3S
- Average molar mass
- 527.1 g/mol
- Monoisotopic mass
- 526.2056919
Names & identifiers
- Preferred name
- L-Leucine, N-(S-(triphenylmethyl)-L-cysteinyl)-, methyl ester, monohydrochloride
- IUPAC
- methyl (2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-4-methylpentanoate;hydrochloride
Names & synonyms
NSC 127737L-Leucine, N-(S-(triphenylmethyl)-L-cysteinyl)-, methyl ester, monohydrochloride(S-Trityl)-L-cysteinyl-L-leucine, methyl ester, hydrochlorideL-Cysteinyl-L-leucine, (S-triphenylmethyl)-, methyl ester, hydrochlorideValeric acid, 2-(2-amino-3-(tritylthio)propionamido)-4-methyl, methyl ester, hydrochloride35959-71-8RefChem:350779CHEMBL558431
Database identifiers
- CAS
35959-71-8- PubChem CID
- 215628
- ChEMBL
CHEMBL558431
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 607
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Compound notes
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