4-(2-tert-Butoxycarbonylamino-2-cyclohexyl-acetyl)-1-methanesulfonyl-octahydro-pyrrolo[3,2-b]pyrrole-3-carboxylic acid methyl ester

HCID 67280730

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

Related reactions

4 records

Compound notes

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