N-[(3-Nitropyridin-2-yl)sulfanyl]-L-isoleucine
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Basic information
- CAS
76863-76-8- Standard SMILES
CC[C@H](C)[C@H](NSc1ncccc1[N+](=O)[O-])C(=O)O- InChIKey
IMPDNZNPAVVGFW-CBAPKCEASA-N- Molecular formula
- C11H15N3O4S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.07832714
Names & identifiers
- Preferred name
- N-[(3-Nitropyridin-2-yl)sulfanyl]-L-isoleucine
- IUPAC
- (2S,3S)-3-methyl-2-[(3-nitro-2-pyridinyl)sulfanylamino]pentanoic acid
- English name
- N-(3-NITRO-2-PYRIDINESULFENYL)-L- ISOLEU CINE
- Molecular formula
- C11H15N3O4S
- Molecular weight
- 285.32
Names & synonyms
76863-76-8N-[(3-Nitropyridin-2-yl)sulfanyl]-L-isoleucine(2S,3S)-3-methyl-2-[(3-nitropyridin-2-yl)sulfanylamino]pentanoic acidN-(3-NITRO-2-PYRIDINESULFENYL)-L- ISOLEU CINEDTXSID10703732L-Isoleucine, N-[(3-nitro-2-pyridinyl)thio]-
Database identifiers
- CAS
76863-76-8- PubChem CID
- 53471745
- DTXSID
DTXSID10703732
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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