Basic information
- Standard SMILES
COC(=O)C1CN(S(C)(=O)=O)C2CCN(C(=O)C(NC(=O)OC(C)(C)C)C3CCCCC3)C12- InChIKey
SOPSWSBHJMQDBH-UHFFFAOYSA-N- Molecular formula
- C22H37N3O7S
- Average molar mass
- 487.6 g/mol
Names & identifiers
- Preferred name
- 4-(2-tert-Butoxycarbonylamino-2-cyclohexyl-acetyl)-1-methanesulfonyl-octahydro-pyrrolo[3,2-b]pyrrole-3-carboxylic acid methyl ester
- IUPAC
- methyl 1-[2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-6-carboxylate
Names & synonyms
SCHEMBL2113517SOPSWSBHJMQDBH-UHFFFAOYSA-N4-(2-tert-Butoxycarbonylamino-2-cyclohexyl-acetyl)-1-methanesulfonyl-octahydro-pyrrolo[3,2-b]pyrrole-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 67280730
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 858
Related reactions
4 records
Compound notes
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