Basic information
- Standard SMILES
CCOC(=O)Cc1csc(NC(=O)Cc2csc(NC(=O)OC(C)(C)C)n2)n1- InChIKey
UNKARYQOKMQLKI-UHFFFAOYSA-N- Molecular formula
- C17H22N4O5S2
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.10316216
Names & identifiers
- Preferred name
- 2-[[2-[1,1-Dimethylethoxycarbonylamino]thiazol-4-yl]acetylamino]-4 thiazoleacetic acid, ethyl ester
- IUPAC
- ethyl 2-[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
Names & synonyms
UNKARYQOKMQLKI-UHFFFAOYSA-N2-[[2-[1,1-Dimethylethoxycarbonylamino]thiazol-4-yl]acetylamino]-4 thiazoleacetic acid, ethyl ester
Database identifiers
- PubChem CID
- 86756127
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Related reactions
2 records
Compound notes
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