Tert-butyl 2-[[1-amino-3-[4-[4-(cyanomethyl)-3-methylsulfonylphenyl]phenyl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate

HCID 76700712
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCCC1C(=O)NC(Cc1ccc(-c2ccc(CC#N)c(S(C)(=O)=O)c2)cc1)C(N)=O
InChIKey
UCYBKYHBHZPJSG-UHFFFAOYSA-N
Molecular formula
C29H36N4O6S
Average molar mass
568.7 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-[[1-amino-3-[4-[4-(cyanomethyl)-3-methylsulfonylphenyl]phenyl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
IUPAC
tert-butyl 2-[[1-amino-3-[4-[4-(cyanomethyl)-3-methylsulfonylphenyl]phenyl]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate

Database identifiers

PubChem CID
76700712

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
168 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
40

Related reactions

1 records
New reaction record

Linked notes

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