Isoleucine, N-(2-quinoxalinylcarbonyl)-, L-
Basic information
- CAS
5570-00-3- Standard SMILES
CCC(C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)O- InChIKey
KHTQXSYLIVGXIE-NCWAPJAISA-N- Molecular formula
- C15H17N3O3
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.12699141
Names & identifiers
- Preferred name
- Isoleucine, N-(2-quinoxalinylcarbonyl)-, L-
- IUPAC
- (2S)-3-methyl-2-(quinoxaline-2-carbonylamino)pentanoic acid
Names & synonyms
N-(2-Quinoxaloyl)-L-isoleucineNSC 96557BRN 0678743ISOLEUCINE, N-(2-QUINOXALOYL)-, L-Isoleucine, N-(2-quinoxalinylcarbonyl)-, L-RefChem:349621Isoleucine, N-(2-quinoxalinylcarbonyl)-, L-(8CI)5570-00-3AKOS010419026
Database identifiers
- CAS
5570-00-3- PubChem CID
- 21739
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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