Details of the Drug

General Information of Drug (ID: DM2JUTB)

Drug Name

PARA-(BENZOYL)-PHENYLALANINE

Synonyms

104504-45-2; L-4-Benzoylphenylalanine; (S)-2-Amino-3-(4-benzoylphenyl)propanoic acid; H-Bpa-OH H-Phe(4-Bz)-OH; Para-(Benzoyl)-Phenylalanine; 4-benzoyl-l-phenylalanine; 4-benzoylphenylalanine; H-Bpa-OH; H-p-Bz-Phe-OH; L-p-Benzoylphenylalanine; p-benzoyl-l-phenylalanine; UNII-9RU6KQ9WYD; 9RU6KQ9WYD; Phenylalanine, 4-benzoyl-; AK117086; (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid; H-L-Bpa-OH; para-Benzoyl-L-phenylalanine; SCHEMBL44097; L-Phenylalanine, 4-benzoyl-; L - 4 - Benzoylphenylalanine; BIBA1027; CTK0G6271; KS-00000GGS

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

269.29

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H15NO3
IUPAC Name: (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)N
InChI: InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m0/s1
InChIKey: TVIDEEHSOPHZBR-AWEZNQCLSA-N