Basic information
- CAS
29972-13-2- Standard SMILES
CCC[C@H](NC(=O)c1c(I)c(I)c(C(=O)N2CCOCC2)c(I)c1I)C(=O)O- InChIKey
JYQBSKKJXSNJTD-QMMMGPOBSA-N- Molecular formula
- C17H18I4N2O5
- Average molar mass
- 837.95 g/mol
- Monoisotopic mass
- 837.7395
Names & identifiers
- Preferred name
- Dl-Norvaline, N-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-
- IUPAC
- (2S)-2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]pentanoic acid
Names & synonyms
BRN 1232466N-(4-(4-Morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-DL-norvaline29972-13-2Dl-Norvaline, N-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-4-(4-(alpha-Carboxybutyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholin [German]4-(4-(alpha-Carboxybutyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholinRefChem:339293DTXSID10952389N-{Hydroxy[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)phenyl]methylidene}-L-norvalineN-{Hydroxy[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)phenyl]methylidene}norvaline
Database identifiers
- CAS
29972-13-2- PubChem CID
- 207409
- DTXSID
DTXSID10952389
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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