N,N'-di-(3,4-dimethoxyphenethyl)-2-((S)-2-mercapto-3-phenylpropionylamino)malonamide

HCID 9851856
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Basic information

Standard SMILES
COc1ccc(CCNC(=O)C(NC(=O)[C@@H](S)Cc2ccccc2)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC
InChIKey
MFTDGPCRKHNZIA-NDEPHWFRSA-N
Molecular formula
C32H39N3O7S
Average molar mass
609.7 g/mol

Names & identifiers

Preferred name
N,N'-di-(3,4-dimethoxyphenethyl)-2-((S)-2-mercapto-3-phenylpropionylamino)malonamide
IUPAC
N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]propanediamide

Names & synonyms

SCHEMBL7101444MFTDGPCRKHNZIA-NDEPHWFRSA-NN,N'-di-(3,4-dimethoxyphenethyl)-2-((S)-2-mercapto-3-phenylpropionylamino)malonamide

Database identifiers

PubChem CID
9851856

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
125 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
16
Heavy atoms
43

Related reactions

1 records
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Compound notes

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