Serine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
Basic information
- CAS
49755-92-2- Standard SMILES
CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)N[C@@H](CO)C(=O)O)c1I- InChIKey
ZDKBABSMXSPHON-YFKPBYRVSA-N- Molecular formula
- C14H14I3N3O6
- Average molar mass
- 700.99 g/mol
- Monoisotopic mass
- 700.8017
Names & identifiers
- Preferred name
- Serine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-
- IUPAC
- (2S)-2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]-3-hydroxypropanoic acid
Names & synonyms
BRN 2402873Serine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-, DL-49755-92-2DL-N-(3-Acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)serineDTXSID50198027RefChem:380144DTXCID80120518SCHEMBL11692654N-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-L-serine
Database identifiers
- CAS
49755-92-2- PubChem CID
- 206365
- DTXSID
DTXSID50198027
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
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Compound notes
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