2-(2-((Tert-butoxycarbonylamino)methyl)thiazole-4-carboxamido)-2-methylpropanoic acid
Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1nc(C(=O)NC(C)(C)C(=O)O)cs1- InChIKey
PYPMYJICBOUPIQ-UHFFFAOYSA-N- Molecular formula
- C14H21N3O5S
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.12019195
Names & identifiers
- Preferred name
- 2-(2-((Tert-butoxycarbonylamino)methyl)thiazole-4-carboxamido)-2-methylpropanoic acid
- IUPAC
- 2-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
Names & synonyms
SCHEMBL9978477PYPMYJICBOUPIQ-UHFFFAOYSA-N2-(2-((tert-butoxycarbonylamino) methyl)thiazole-4-carboxamido)-2-methylpropanoic acid2-(2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxamido)-2-methylpropanoic acid
Database identifiers
- PubChem CID
- 67991985
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
Related reactions
4 records
Compound notes
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