CAS: 232276-01-6
Name: ethyl (2S)-3-(4-bromophenyl)-2-[(2,6-dichlorobenzoyl)amino]propanoate
SMILES:
CCOC(=O)C(CC1=CC=C(C=C1)Br)NC(=O)C2=C(C=CC=C2Cl)ClMolecular Processing
Molecular formula
C18H16BrCl2NO3
Molecular weight
445.14
Exact mass
442.9691
XLogP
4.66
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
102.2
Supplementary Information
InChIKey: NEAGYRGZNJWPLE-HNNXBMFYSA-N
Synonyms
232276-01-6(S)-Ethyl 3-(4-bromophenyl)-2-(2,6-dichlorobenzamido)propanoateethyl (2S)-3-(4-bromophenyl)-2-[(2,6-dichlorobenzoyl)amino]propanoateL-PHENYLALANINE, 4-BROMO-N-(2,6-DICHLOROBENZOYL)-, ETHYL ESTER(S)-Ethyl 2-(2,6-dichlorobenzamido)-3-(4-bromophenyl)propanoateSCHEMBL5782600DTXSID40709065NEAGYRGZNJWPLE-HNNXBMFYSA-NEthyl 4-bromo-N-(2,6-dichlorobenzoyl)-L-phenylalaninateN-(2,6-dichlorobenzoyl)-4bromo-L-phenylalanine ethyl esterN-(2,6-dichlorobenzoyl)-4-bromo-L-phenylalanine ethyl ester(S)-Ethyl3-(4-bromophenyl)-2-(2,6-dichlorobenzamido)propanoate
Involved in 10 reactions→