Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1ccc(Cl)s1)C(=O)O- InChIKey
VYQXHBJIYCNGFR-ZETCQYMHSA-N- Molecular formula
- C13H17ClN2O5S
- Average molar mass
- 348.8 g/mol
Names & identifiers
- Preferred name
- (S)-2-tert-Butoxycarbonylamino-3-[(5-chloro-thiophene-2-carbonyl)-amino]-propionic acid
- IUPAC
- (2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Names & synonyms
SCHEMBL1770946VYQXHBJIYCNGFR-ZETCQYMHSA-N(S)-2-tert-Butoxycarbonylamino-3-[(5-chloro-thiophene-2-carbonyl)-amino]-propionic acid
Database identifiers
- PubChem CID
- 67155372
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
3 records
Compound notes
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