CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)C2=CC=C(C=C2)Br
CAS: 1007881-98-2
Nombre: tert-butyl (2S)-2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)C2=CC=C(C=C2)Br

Molecular Processing

Molecular formula
C18H23BrN2O4
Molecular weight
411.3
Exact mass
410.0841
XLogP
3.15
TPSA
75.71
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
97.44

Supplementary Information

InChIKey: ZUVCUAVWIIYSEL-AWEZNQCLSA-N
Sinónimos
1007881-98-2(S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylateMFCD21496634C18H23BrN2O41-Pyrrolidinecarboxylic acid, 2-[[[2-(4-bromophenyl)-2-oxoethyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2S)-tert-butyl (S)-2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylatetert-butyl (2S)-2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate(S)-tert-butyl 2-(2-(4-bromophenyl)-2-oxoethylcarbamoyl)pyrrolidine-1-carboxylateSCHEMBL571211DTXSID50718007ZUVCUAVWIIYSEL-AWEZNQCLSA-NAKOS0272827541,1-dimethylethyl (2S)-2-({[2-(4-bromophenyl)-2-oxoethyl]amino}carbonyl)-1-pyrrolidinecarboxylateDS-10639DB-363046CS-0143268A11818A1-15123(S)-1-Boc-2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidineN-[2-(4-Bromophenyl)-2-oxoethyl]-1-(tert-butoxycarbonyl)-L-prolinamide(S)-tert-butyl 2-(2-(4-bromophenyl)-2-oxoethylcarbamoyl)-pyrrolidine-1-carboxylatetert-butyl (2S)-2-[[2-(4-bromophenyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate
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