N-(3-Nitro-2-pyridinyl)-L-tryptophan
Basic information
- CAS
36977-07-8- Standard SMILES
O=C(O)[C@H](Cc1c[nH]c2ccccc12)Nc1ncccc1[N+](=O)[O-]- InChIKey
NSZFRCBGVBRVRS-ZDUSSCGKSA-N- Molecular formula
- C16H14N4O4
- Average molar mass
- 326.31 g/mol
- Monoisotopic mass
- 326.10150494
Names & identifiers
- Preferred name
- N-(3-Nitro-2-pyridinyl)-L-tryptophan
- IUPAC
- (2S)-3-(1H-indol-3-yl)-2-[(3-nitro-2-pyridinyl)amino]propanoic acid
Names & synonyms
36977-07-8N-(3-Nitro-2-pyridinyl)-L-tryptophanRefChem:361475(2S)-3-(1H-indol-3-yl)-2-[(3-nitropyridin-2-yl)amino]propanoic acid(2S)-3-(1H-indol-3-yl)-2-[(3-nitro-2-pyridinyl)amino]propanoic acidMLS001195522CHEMBL1382318DTXSID401292014HMS2885M15AKOS005107447MS-1689N-(3-Nitropyridin-2-yl)-L-tryptophan
Show more names
SMR000550711SR-01000308403SR-01000308403-1(2S)-3-(1H-indol-3-yl)-2-[(3-nitropyridin-2-yl)amino]propanoicacid
Database identifiers
- CAS
36977-07-8- PubChem CID
- 7100620
- DTXSID
DTXSID401292014- ChEMBL
CHEMBL1382318
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
Solubility>48.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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