2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine N-methyl amide

HCID 86757825
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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)NC
InChIKey
DIDUPQRWACABAI-ZTURCVLQSA-N
Molecular formula
C33H41N3O4S
Average molar mass
575.8 g/mol

Names & identifiers

Preferred name
2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine N-methyl amide
IUPAC
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]pentanamide

Names & synonyms

DIDUPQRWACABAI-ZTURCVLQSA-N2-(4-methoxybenzylthio)-pentanoyl-(L)-homophenylalanyl-(L)-phenylalanine N-methyl amide

Database identifiers

PubChem CID
86757825

Properties

Computed structural properties

XLogP
6
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
16
Heavy atoms
41

Related reactions

2 records
New reaction record

Linked notes

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