N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl ester

HCID 53772611

Basic information

Standard SMILES
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)c1ccn(-c2ccc(F)cc2)c1)C(C)(C)C
InChIKey
DPRREPUKXICBIU-UKILVPOCSA-N
Molecular formula
C28H32FN3O4
Average molar mass
493.6 g/mol

Names & identifiers

Preferred name
N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl ester
IUPAC
benzyl (3S)-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-3-[1-(4-fluorophenyl)pyrrol-3-yl]-4-oxobutanoate

Names & synonyms

N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl esterN-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl esterN-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl esterSCHEMBL7451148DPRREPUKXICBIU-UKILVPOCSA-NN-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3 (S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid benzyl ester

Database identifiers

PubChem CID
53772611

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
89.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
36

Related reactions

8 records

Compound notes

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