tert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate

HCID 58355355

Basic information

Standard SMILES
CC(C)CN(C(=O)c1nc2ccccc2n1CCc1cccs1)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1
InChIKey
WCYZNQNYHVXZLG-RPBOFIJWSA-N
Molecular formula
C33H45N5O5S
Average molar mass
623.8 g/mol
Monoisotopic mass
623.31414073

Names & identifiers

Preferred name
tert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
IUPAC
tert-butyl (3S,5R)-3-[2-methylpropyl-[1-(2-thiophen-2-ylethyl)benzimidazole-2-carbonyl]amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate

Names & synonyms

tert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino]-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-{(2-methylpropyl){{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylateSCHEMBL2215471WCYZNQNYHVXZLG-RPBOFIJWSA-Ntert-butyl (3S,5R)-3-{(2-methylpropyl) {{1-(2-(thiophen-2-yl)ethyl)-1H-benzimidazol-2-yl}carbonyl}amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate

Database identifiers

PubChem CID
58355355

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
125 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
44

Related reactions

4 records

Compound notes

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