3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid;N-cyclohexylcyclohexanamine
Basic information
- CAS
2481-12-1- Standard SMILES
C1CCC(NC2CCCCC2)CC1.CC(C)(C)SCC(NC(=O)OCc1ccccc1)C(=O)O- InChIKey
VWQCDVKMOHTBEI-UHFFFAOYSA-N- Molecular formula
- C27H44N2O4S
- Average molar mass
- 492.7 g/mol
- Monoisotopic mass
- 492.30217906
Names & identifiers
- Preferred name
- 3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid;N-cyclohexylcyclohexanamine
- IUPAC
- 3-tert-butylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid;N-cyclohexylcyclohexanamine
Names & synonyms
NSC154951NSC-1549512481-12-1
Database identifiers
- CAS
2481-12-1- PubChem CID
- 290748
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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