Basic information
- Standard SMILES
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)s1- InChIKey
HZSOMFPFWOJMFV-GFCCVEGCSA-N- Molecular formula
- C15H13BrN2O4S2
- Average molar mass
- 429.3 g/mol
Names & identifiers
- Preferred name
- (R)-2-(5-Bromo-thiophene-2-sulfonylamino)-3-(1H-indol-3-yl)-propionic acid
- IUPAC
- (2R)-2-[(5-bromothiophen-2-yl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
Names & synonyms
SCHEMBL2379848HZSOMFPFWOJMFV-GFCCVEGCSA-N(R)-2-(5-Bromo-thiophene-2-sulfonylamino)-3-(1H-indol-3-yl)-propionic acid
Database identifiers
- PubChem CID
- 11396269
- Nikkaji
- J2.598.231B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 568
Related reactions
4 records
Compound notes
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