Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1cc(C[C@H](N)C(=O)NCCc2ccc(O)c(O)c2)c2ccccc21- InChIKey
RKGQVLBXIVHLQG-SFHVURJKSA-N- Molecular formula
- C24H29N3O5
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- N-(N'-tert-butoxycarbonyl-L-tryptophanyl)dopamine
- IUPAC
- tert-butyl 3-[(2S)-2-amino-3-[2-(3,4-dihydroxyphenyl)ethylamino]-3-oxopropyl]indole-1-carboxylate
Names & synonyms
SCHEMBL7703701RKGQVLBXIVHLQG-SFHVURJKSA-NN-(N'-tert-butoxycarbonyl-L-tryptophanyl)dopamine
Database identifiers
- PubChem CID
- 70168262
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 652
Related reactions
1 records
Compound notes
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