Basic information
- Standard SMILES
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2- InChIKey
BNAZOOCFECXZBZ-MRXNPFEDSA-N- Molecular formula
- C20H18N2O5
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.12157168
Names & identifiers
- Preferred name
- Methyl N-(1,3-benzodioxol-5-ylcarbonyl)-D-tryptophanate
- IUPAC
- methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate
Names & synonyms
MLS001172456CHEMBL1545282SCHEMBL13606614BNAZOOCFECXZBZ-MRXNPFEDSA-NHMS1725H13HMS2875P16AKOS034826656SMR000589284Z56951104Methyl N-(1,3-benzodioxol-5-ylcarbonyl)-D-tryptophanate(R)-Nalpha -(3,4-Methylenedioxyphenylcarbonyl)-tryptophan methyl ester(R)-Nalpha-(3,4-Methylenedioxyphenylcarbonyl)-tryptophan Methyl Ester
Show more names
171489-57-9
Database identifiers
- PubChem CID
- 2408827
- ChEMBL
CHEMBL1545282
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 556
Related reactions
4 records
Compound notes
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