L-Proline, 1-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-
Basic information
- CAS
29820-32-4- Standard SMILES
O=C(O)[C@@H]1CCCN1C(=O)c1c(I)c(I)c(C(=O)N2CCOCC2)c(I)c1I- InChIKey
YMFDHJFUMRTIRD-QMMMGPOBSA-N- Molecular formula
- C17H16I4N2O5
- Average molar mass
- 835.94 g/mol
- Monoisotopic mass
- 835.7238
Names & identifiers
- Preferred name
- L-Proline, 1-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-
- IUPAC
- (2S)-1-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
BRN 12328911-(4-(4-Morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-L-proline29820-32-4L-Proline, 1-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-4-(4-(2'-Carboxy-pyrrolidino)-carbonyl-2,3,5,6-tetrajod-benzoyl)-morpholin [German]4-(4-(2'-Carboxy-pyrrolidino)-carbonyl-2,3,5,6-tetrajod-benzoyl)-morpholinRefChem:350920DTXSID209522541-[2,3,5,6-Tetraiodo-4-(morpholine-4-carbonyl)benzoyl]-L-proline1-[2,3,5,6-Tetraiodo-4-(morpholine-4-carbonyl)benzoyl]proline
Database identifiers
- CAS
29820-32-4- PubChem CID
- 207382
- DTXSID
DTXSID20952254
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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