Basic information
- CAS
67227-37-6- Standard SMILES
CCC(=O)Nc1c(I)c(C(=O)NC)c(I)c(C(=O)NCC(=O)O)c1I- InChIKey
CISIBGUGYWFWDQ-UHFFFAOYSA-N- Molecular formula
- C14H14I3N3O5
- Average molar mass
- 684.99 g/mol
- Monoisotopic mass
- 684.8068
Names & identifiers
- Preferred name
- Glycine, N-(3-methylcarbamoyl-5-propionamido-2,4,6-triiodobenzoyl)-
- IUPAC
- 2-[[2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoyl]amino]acetic acid
- English name
- N-(3-Methylcarbamoyl-5-propionylamino-2,4,6-triiodobenzoyl)glycine
- Molecular formula
- C20H18I3N3O6
- Molecular weight
- 777.09
Names & synonyms
67227-37-6N-(3-Methylcarbamoyl-5-propionamido-2,4,6-triiodobenzoyl)glycineGLYCINE, N-(3-METHYLCARBAMOYL-5-PROPIONAMIDO-2,4,6-TRIIODOBENZOYL)-DTXSID00217555RefChem:346481DTXCID50140046SCHEMBL11691839N-[2,4,6-Triiodo-3-(methylcarbamoyl)-5-propanamidobenzoyl]glycineN-(3-Methylcarbamoyl-5-propionylamino-2,4,6-triiodobenzoyl)glycineGlycine, N-(4-hydroxyphenyl)-N-[2,4,6-triiodo-3-[(methylamino)carbonyl]-5-[(1-oxopropyl)amino]benzoyl]-
Database identifiers
- CAS
67227-37-6- PubChem CID
- 49653
- DTXSID
DTXSID00217555- Nikkaji
- J75.736E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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