2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine t-butyl ester

HCID 54481559
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Basic information

Standard SMILES
CCCC(SCc1ccc(OC)cc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
InChIKey
XPIJDWHHLIQQGW-PZWBPPBVSA-N
Molecular formula
C36H46N2O5S
Average molar mass
618.8 g/mol

Names & identifiers

Preferred name
2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine t-butyl ester
IUPAC
tert-butyl (2S)-2-[[(2S)-2-[2-[(4-methoxyphenyl)methylsulfanyl]pentanoylamino]-4-phenylbutanoyl]amino]-3-phenylpropanoate

Names & synonyms

SCHEMBL7027792XPIJDWHHLIQQGW-PZWBPPBVSA-N2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine t-butyl ester

Database identifiers

PubChem CID
54481559

Properties

Computed structural properties

XLogP
7.6
Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
18
Heavy atoms
44

Related reactions

2 records
New reaction record

Linked notes

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