tert-butyl N-[2-(1-{[2,4-dihydroxy-5-(propan-2-yl)phenyl]carbonyl}piperidin-4-yl)ethyl]-L-phenylalaninate

HCID 54766973
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Basic information

Standard SMILES
CC(C)c1cc(C(=O)N2CCC(CCN[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)CC2)c(O)cc1O
InChIKey
BDMRIMMVDUHGDQ-VWLOTQADSA-N
Molecular formula
C30H42N2O5
Average molar mass
510.7 g/mol

Names & identifiers

Preferred name
tert-butyl N-[2-(1-{[2,4-dihydroxy-5-(propan-2-yl)phenyl]carbonyl}piperidin-4-yl)ethyl]-L-phenylalaninate
IUPAC
tert-butyl (2S)-2-[2-[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]ethylamino]-3-phenylpropanoate

Names & synonyms

SCHEMBL14856525BDMRIMMVDUHGDQ-VWLOTQADSA-Ntert-butyl N-[2-(1-{[2,4-dihydroxy-5-(propan-2-yl)phenyl]carbonyl}piperidin-4-yl)ethyl]-L-phenylalaninate

Database identifiers

PubChem CID
54766973

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
99.1 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
37

Related reactions

1 records
New reaction record

Linked notes

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