2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-(phenylamino)-pentanoic Acid

HCID 9869333
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Basic information

Standard SMILES
COc1ccc(-c2ccc(S(=O)(=O)NC(CC(O)CNc3ccccc3)C(=O)O)cc2)cc1
InChIKey
PYYLDXLQGWBBKJ-UHFFFAOYSA-N
Molecular formula
C24H26N2O6S
Average molar mass
470.5 g/mol
Monoisotopic mass
470.15115773

Names & identifiers

Preferred name
2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-(phenylamino)-pentanoic Acid
IUPAC
5-anilino-4-hydroxy-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]pentanoic acid

Names & synonyms

SCHEMBL6773555PYYLDXLQGWBBKJ-UHFFFAOYSA-N2-[(4'-Methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino-4-hydroxy-5-(phenylamino)-pentanoic Acid

Database identifiers

PubChem CID
9869333

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
133 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
33

Related reactions

6 records
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Compound notes

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