N-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamide

HCID 514653

Basic information

Standard SMILES
C=CCCC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C
InChIKey
NNZULKFQXQUMRP-GVXSCFBNSA-N
Molecular formula
C28H34N2O5S
Average molar mass
510.6 g/mol

Names & identifiers

Preferred name
N-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamide
IUPAC
N-[(2S,3S)-4-[(4R)-5,5-dimethyl-4-pent-4-enoyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-hydroxy-2-methylbenzamide

Names & synonyms

SCHEMBL5216348NNZULKFQXQUMRP-GVXSCFBNSA-NN-[(1S,2S)-1-Benzyl-3-((R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl)-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamideN-[(1S,2S)-1-benzyl-3-[(4R)-5,5-dimethyl-4-pent-4-enoyl-thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]-3-hydroxy-2-methyl-benzamideN-{(1S,2S)-1-Benzyl-3-[(4R)-5,5-dimethyl-4-pent-4-enoyl-1,3-thiazolidin-3-yl]-2-hydroxy-3-oxopropyl}-3-hydroxy-2-methylbenzamide

Database identifiers

PubChem CID
514653

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
132 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
36

Related reactions

3 records

Compound notes

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