N-(2,6-Dichlorobenzoyl)-4-(4-allylamino-2,6-dimethoxyphenyl)-L-phenylalanine methyl ester

HCID 53867698
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Basic information

Standard SMILES
C=CCNc1cc(OC)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC)cc2)c(OC)c1
InChIKey
HAXUOYXALJZWKA-QFIPXVFZSA-N
Molecular formula
C28H28Cl2N2O5
Average molar mass
543.4 g/mol

Names & identifiers

Preferred name
N-(2,6-Dichlorobenzoyl)-4-(4-allylamino-2,6-dimethoxyphenyl)-L-phenylalanine methyl ester
IUPAC
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2,6-dimethoxy-4-(prop-2-enylamino)phenyl]phenyl]propanoate

Names & synonyms

SCHEMBL5783761HAXUOYXALJZWKA-QFIPXVFZSA-NN-(2,6-Dichlorobenzoyl)-4-(4-allylamino-2,6-dimethoxyphenyl)-L-phenylalanine methyl ester

Database identifiers

PubChem CID
53867698

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
85.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
37

Related reactions

2 records
New reaction record

Compound notes

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N-(2,6-Dichlorobenzoyl)-4-(4-allylamino-2,6-dimethoxyphenyl)-L-phenylalanine methyl ester (HCID 53867698)｜Huagongshe