Acetic acid 2-{1-[2-amino-3-(4-fluorophenyl)propionyl]-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)piperazin-2-yl}-ethyl ester

HCID 69630273
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Basic information

Standard SMILES
CNC(=O)C(Cc1ccc2ccccc2c1)N1CCN(C(=O)C(N)Cc2ccc(F)cc2)C(CCOC(C)=O)C1
InChIKey
XSTDXRWNOJEKAO-UHFFFAOYSA-N
Molecular formula
C31H37FN4O4
Average molar mass
548.6 g/mol

Names & identifiers

Preferred name
Acetic acid 2-{1-[2-amino-3-(4-fluorophenyl)propionyl]-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)piperazin-2-yl}-ethyl ester
IUPAC
2-[1-[2-amino-3-(4-fluorophenyl)propanoyl]-4-[1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]piperazin-2-yl]ethyl acetate

Names & synonyms

SCHEMBL5997175XSTDXRWNOJEKAO-UHFFFAOYSA-Nacetic acid 2-{1-[2-amino-3-(4-fluorophenyl)propionyl]-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)piperazin-2-yl}-ethyl ester

Database identifiers

PubChem CID
69630273

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
105 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
40

Related reactions

1 records
New reaction record

Linked notes

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Acetic acid 2-{1-[2-amino-3-(4-fluorophenyl)propionyl]-4-(1-methylcarbamoyl-2-naphthalen-2-ylethyl)piperazin-2-yl}-ethyl ester (HCID 69630273)｜Huagongshe