Basic information
- Standard SMILES
O=C(CCCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O- InChIKey
SITLABPOWFXQMA-IBGZPJMESA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- (S)-3-(1H-Indol-3-yl)-2-(4-phenyl-butyrylamino)-propionic acid
- IUPAC
- (2S)-3-(1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid
Names & synonyms
SCHEMBL1233499SITLABPOWFXQMA-IBGZPJMESA-N(S)-3-(1H-Indol-3-yl)-2-(4-phenyl-butyrylamino)-propionic acid
Database identifiers
- PubChem CID
- 57796817
- Nikkaji
- J481.723K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
Related reactions
4 records
Compound notes
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