N-[1-Carboxy-3-(4-iodoanilino)propyl]-L-alanyl-L-proline
Basic information
- CAS
86938-24-1- Standard SMILES
C[C@H](NC(CCNc1ccc(I)cc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O- InChIKey
OUXDOHAPLGPGFU-NGKXAEKTSA-N- Molecular formula
- C18H24IN3O5
- Average molar mass
- 489.3 g/mol
- Monoisotopic mass
- 489.07607
Names & identifiers
- Preferred name
- N-[1-Carboxy-3-(4-iodoanilino)propyl]-L-alanyl-L-proline
- IUPAC
- (2S)-1-[(2S)-2-[[1-carboxy-3-(4-iodoanilino)propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
86938-24-1DTXSID20833135N-[1-Carboxy-3-(4-iodoanilino)propyl]-L-alanyl-L-proline
Database identifiers
- CAS
86938-24-1- PubChem CID
- 71413622
- DTXSID
DTXSID20833135
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
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Compound notes
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