Basic information
- CAS
67227-36-5- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)COC)c(I)c(C(=O)NCC(=O)O)c1I- InChIKey
ZUOGOXJIROUOFD-UHFFFAOYSA-N- Molecular formula
- C14H14I3N3O6
- Average molar mass
- 700.99 g/mol
- Monoisotopic mass
- 700.8017
Names & identifiers
- Preferred name
- Glycine, N-(3-methoxyacetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-
- IUPAC
- 2-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]acetic acid
- English name
- N-[3-(Methoxyacetylamino)-5-methylaminocarbonyl-2,4,6-triiodobenzoyl]glycine
- Molecular formula
- C20H18I3N3O7
- Molecular weight
- 793.09
Names & synonyms
GLYCINE, N-(3-METHOXYACETAMIDO-5-METHYLCARBAMOYL-2,4,6-TRIIODOBENZOYL)-N-(3-Methoxyacetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)glycin67227-36-5DTXSID40217554RefChem:346480DTXCID90140045SCHEMBL11693589NS00040917N-[2,4,6-Triiodo-3-(2-methoxyacetamido)-5-(methylcarbamoyl)benzoyl]glycineN-[3-(Methoxyacetylamino)-5-methylaminocarbonyl-2,4,6-triiodobenzoyl]glycineGlycine, N-(4-hydroxyphenyl)-N-[2,4,6-triiodo-3-[(methoxyacetyl)amino]-5-[(methylamino)carbonyl]benzoyl]- (9CI)
Database identifiers
- CAS
67227-36-5- PubChem CID
- 49652
- DTXSID
DTXSID40217554- Nikkaji
- J75.734I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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