3-(Isopropyl-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-benzoyl}-amino)-propionic acid methyl ester trifluoroacetate

HCID 69947487
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Basic information

Standard SMILES
COC(=O)CCN(C(=O)c1cc(C)cc(OCCNc2ccncc2)c1)C(C)C.O=C(O)C(F)(F)F
InChIKey
PVOIGRGBGYSZKC-UHFFFAOYSA-N
Molecular formula
C24H30F3N3O6
Average molar mass
513.5 g/mol
Monoisotopic mass
513.20867017

Names & identifiers

Preferred name
3-(Isopropyl-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-benzoyl}-amino)-propionic acid methyl ester trifluoroacetate
IUPAC
methyl 3-[[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoate;2,2,2-trifluoroacetic acid

Names & synonyms

3-(Isopropyl-{3-methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-benzoyl}-amino)-propionic acid methyl ester trifluoroacetateSCHEMBL6962122

Database identifiers

PubChem CID
69947487

Properties

Computed structural properties

Topological polar surface area
118 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
11
Heavy atoms
36

Related reactions

2 records
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Compound notes

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