2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanine

HCID 22950827
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Basic information

Standard SMILES
CCCC(SCc1ccc(OC)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)O
InChIKey
GPUKBHQRUGZLRM-BGERDNNASA-N
Molecular formula
C23H29NO4S
Average molar mass
415.5 g/mol

Names & identifiers

Preferred name
2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanine
IUPAC
(2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenylbutanoic acid

Names & synonyms

SCHEMBL7032170GPUKBHQRUGZLRM-BGERDNNASA-N2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanine

Database identifiers

PubChem CID
22950827

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
29

Related reactions

3 records
New reaction record

Linked notes

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