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Basic information
- Standard SMILES
O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)OCc2ccccc2)s1- InChIKey
BBRNDTYBWVHHPM-DNQXCXABSA-N- Molecular formula
- C30H30N2O6S
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.18245785
Names & identifiers
- Preferred name
- (R)-1-[5-[(R)-2-Benzyloxycarbonyl-pyrrolidine-1-carbonyl]-thiophene-2-carbonyl]-pyrrolidine-2-carboxylic acid benzyl ester
- IUPAC
- benzyl (2R)-1-[5-[(2R)-2-phenylmethoxycarbonylpyrrolidine-1-carbonyl]thiophene-2-carbonyl]pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL6788988BBRNDTYBWVHHPM-DNQXCXABSA-N(R)-1-[5-[(R)-2-Benzyloxycarbonyl-pyrrolidine-1-carbonyl]-thiophene-2-carbonyl]-pyrrolidine-2-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 53673751
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 817
Related reactions
4 records
Compound notes
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