Alanine, 3-((alpha,alpha-diphenylpiperonyl)thio)-, L-
Basic information
- CAS
35959-94-5- Standard SMILES
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2c(c1)OCO2)C(=O)O- InChIKey
GOAVOFCRODIGFE-IBGZPJMESA-N- Molecular formula
- C23H21NO4S
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.11912932
Names & identifiers
- Preferred name
- Alanine, 3-((alpha,alpha-diphenylpiperonyl)thio)-, L-
- IUPAC
- (2R)-2-amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanylpropanoic acid
Names & synonyms
ALANINE, 3-((alpha,alpha-DIPHENYLPIPERONYL)THIO)-, L-35959-94-5RefChem:1076287L-Cysteine, S-(1,3-benzodioxol-5-yldiphenylmethyl)-NSC 134250NSC-134250L-3-((alpha,alpha-Diphenylpiperonyl)thio)alanine7ND9Y2F5CCS-(1,3-Benzodioxol-5-yldiphenylmethyl)-L-cysteineCHEMBL261611BDBM23781(2R)-2-amino-3-[(2H-1,3-benzodioxol-5-yldiphenylmethyl)sulfanyl]propanoic acid
Database identifiers
- CAS
35959-94-5- PubChem CID
- 37323
- ChEMBL
CHEMBL261611- UNII
- 7ND9Y2F5CC
- Nikkaji
- J55.187B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
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Compound notes
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