Basic information
- Standard SMILES
CC1CCC(N(CCc2ccccc2)C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)CC1- InChIKey
RHRRFBNHMDKNPP-UHFFFAOYSA-N- Molecular formula
- C23H31N3O3S2
- Average molar mass
- 461.6 g/mol
- Monoisotopic mass
- 461.18068421
Names & identifiers
- Preferred name
- 2-Methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-phenethyl-ureido]-thiazol-5-ylsulfanyl}-propionic acid
- IUPAC
- 2-methyl-2-[[2-[[(4-methylcyclohexyl)-(2-phenylethyl)carbamoyl]amino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid
Names & synonyms
SCHEMBL2657541SCHEMBL2657543RHRRFBNHMDKNPP-SAABIXHNSA-N2-methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-phenethyl -ureido]-thiazol-5-ylsulfanyl}-propionic acid2-methyl-2-{2-[3-(trans-4-methyl-cyclohexyl)-3-phenethyl-ureido]-thiazol-5-ylsulfanyl}-propionic acid
Database identifiers
- PubChem CID
- 24988937
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 605
Related reactions
6 records
Compound notes
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