4-[3-Methyl-2-(2-methylamino-propionylamino)-butyryl]-3-phenoxy-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CNC(C)C(=O)NC(C(=O)N1CCC2C1C(Oc1ccccc1)CN2C(=O)OC(C)(C)C)C(C)C- InChIKey
COHWZLGMAVMQJO-UHFFFAOYSA-N- Molecular formula
- C26H40N4O5
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- 4-[3-Methyl-2-(2-methylamino-propionylamino)-butyryl]-3-phenoxy-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 1-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-6-phenoxy-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
Names & synonyms
SCHEMBL8514737COHWZLGMAVMQJO-UHFFFAOYSA-N4-[3-Methyl-2-(2-methylamino-propionylamino)-butyryl]-3-phenoxy-hexahydro-pyrrolo[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 67609028
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 761
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Related reactions
2 records
Compound notes
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