tert-butyl (2S,3R)-4-(4-cyanobenzylamino)-1-cyclohexyl-3-hydroxybutan-2-ylcarbamate

HCID 57786472
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)CNCc1ccc(C#N)cc1
InChIKey
RBOFWHGKHHVTTM-LEWJYISDSA-N
Molecular formula
C23H35N3O3
Average molar mass
401.5 g/mol
Monoisotopic mass
401.26784199

Names & identifiers

Preferred name
tert-butyl (2S,3R)-4-(4-cyanobenzylamino)-1-cyclohexyl-3-hydroxybutan-2-ylcarbamate
IUPAC
tert-butyl N-[(2S,3R)-4-[(4-cyanophenyl)methylamino]-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate

Names & synonyms

SCHEMBL12920123RBOFWHGKHHVTTM-LEWJYISDSA-Ntert-butyl (2S,3R)-4-(4-cyanobenzylamino)-1-cyclohexyl-3-hydroxybutan-2-ylcarbamate

Database identifiers

PubChem CID
57786472

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
94.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
29

Related reactions

2 records
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Compound notes

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