Basic information
- Standard SMILES
CC(=O)Oc1cc(C(O/N=C(\C(=O)O)c2csc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)C(=O)OC(c2ccccc2)c2ccccc2)cc(OC(C)=O)c1OC(C)=O- InChIKey
NVXVOXDIYDVDBX-ZCPJAKAISA-N- Molecular formula
- C51H41N3O11S
- Average molar mass
- 903.9 g/mol
- Monoisotopic mass
- 903.24618031
Names & identifiers
- Preferred name
- (2Z)-2-[2-benzhydryloxy-2-oxo-1-(3,4,5-triacetyloxyphenyl)ethoxy]imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
- IUPAC
- (2Z)-2-[2-benzhydryloxy-2-oxo-1-(3,4,5-triacetyloxyphenyl)ethoxy]imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
Names & synonyms
SCHEMBL9866989
Database identifiers
- PubChem CID
- 14479215
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 21
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
2 records
Compound notes
Loading…