Basic information
- Standard SMILES
CC(C(=O)NC(C(=O)N1CCC2C1C(C(=O)O)CN2S(C)(=O)=O)C1CCCCC1)N(C)C(=O)OC(C)(C)C- InChIKey
OQJDJORVEPSHPH-UHFFFAOYSA-N- Molecular formula
- C25H42N4O8S
- Average molar mass
- 558.7 g/mol
Names & identifiers
- Preferred name
- 4-{2-[2-(tert-Butoxycarbonyl-methyl-amino)-propionylamino]-2-cyclohexyl-acetyl}-1-methanesulfonyl-octahydro-pyrrolo[3,2-b]pyrrole-3-carboxylic acid
- IUPAC
- 1-[2-cyclohexyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetyl]-4-methylsulfonyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-6-carboxylic acid
Names & synonyms
SCHEMBL2113969OQJDJORVEPSHPH-UHFFFAOYSA-N4-{2-[2-(tert-Butoxycarbonyl-methyl-amino)-propionylamino]-2-cyclohexyl-acetyl}-1-methanesulfonyl-octahydro-pyrrolo[3,2-b]pyrrole-3-carboxylic acid
Database identifiers
- PubChem CID
- 67280901
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
4 records
Compound notes
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