Basic information
- CAS
918330-61-7- Standard SMILES
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)O- InChIKey
LYHMMVJFPYHFMZ-CABZTGNLSA-N- Molecular formula
- C13H19NO5S
- Average molar mass
- 301.36 g/mol
- Monoisotopic mass
- 301.09839371
Names & identifiers
- Preferred name
- L-Isoleucine, N-[(4-methoxyphenyl)sulfonyl]-
- IUPAC
- (2S,3S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoic acid
Names & synonyms
L-Isoleucine, N-[(4-methoxyphenyl)sulfonyl]-918330-61-7(2S,3S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoic acid(2S,3S)-2-(4-methoxybenzenesulfonamido)-3-methylpentanoic acidDTXSID30368382MFCD30600200AKOS010371737VS-12365N-(4-Methoxybenzene-1-sulfonyl)-L-isoleucine(2S,3S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-pentanoic acid
Database identifiers
- CAS
918330-61-7- PubChem CID
- 2385390
- DTXSID
DTXSID30368382
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…