(S)-3-(4-tert-Butoxy-phenyl)-2-(3-methyl-benzoylamino)-propionic acid

HCID 69586971
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Basic information

Standard SMILES
Cc1cccc(C(=O)N[C@@H](Cc2ccc(OC(C)(C)C)cc2)C(=O)O)c1
InChIKey
NOYHVMXSPPYURQ-SFHVURJKSA-N
Molecular formula
C21H25NO4
Average molar mass
355.4 g/mol
Monoisotopic mass
355.17835828

Names & identifiers

Preferred name
(S)-3-(4-tert-Butoxy-phenyl)-2-(3-methyl-benzoylamino)-propionic acid
IUPAC
(2S)-2-[(3-methylbenzoyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Names & synonyms

SCHEMBL5842068NOYHVMXSPPYURQ-SFHVURJKSA-N(S)-3-(4-tert-Butoxy-phenyl)-2-(3-methyl-benzoylamino)-propionic acid

Database identifiers

PubChem CID
69586971

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
75.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
26

Related reactions

1 records
New reaction record

Compound notes

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