N-Dichloroacetyl-5-nitrotryptophan
Basic information
- CAS
72787-23-6- Standard SMILES
O=C(N[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O)C(Cl)Cl- InChIKey
XQWHVNIKKBWIGG-JTQLQIEISA-N- Molecular formula
- C13H11Cl2N3O5
- Average molar mass
- 360.15 g/mol
- Monoisotopic mass
- 359.0075758
Names & identifiers
- Preferred name
- N-Dichloroacetyl-5-nitrotryptophan
- IUPAC
- (2S)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acid
Names & synonyms
N-Dichloroacetyl-5-nitrotryptophan72787-23-6RefChem:163255(2S)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1H-indol-3-yl)propanoic acidDTXSID10993590DL-Tryptophan, N-(dichloroacetyl)-5-nitro-N-(2,2-Dichloro-1-hydroxyethylidene)-5-nitrotryptophanN-(2,2-Dichloro-1-hydroxyethylidene)-5-nitro-L-tryptophan
Database identifiers
- CAS
72787-23-6- PubChem CID
- 192020
- DTXSID
DTXSID10993590
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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