CAS: 51301-86-1
Nom: 3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILES:
CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)OMolecular Processing
Molecular formula
C14H18ClNO4
Molecular weight
299.75
Exact mass
299.0924
XLogP
2.86
TPSA
75.63
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
75.95
Supplementary Information
InChIKey: BETBOAZCLSJOBQ-UHFFFAOYSA-N
Synonymes
2-{[(tert-butoxy)carbonyl]amino}-3-(4-chlorophenyl)propanoic acid2-(((Tert-butoxy)carbonyl)amino)-3-(4-chlorophenyl)propanoic acidRefChem:447107887-675-251301-86-12-((tert-Butoxycarbonyl)amino)-3-(4-chlorophenyl)propanoic acidMFCD020810803-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid2-TERT-BUTOXYCARBONYLAMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACIDBoc-D-4-Chloropheboc-p-fluoro-phe-ohBOC-P-CHLORO-PHE-OHBOC-P-CHLORO-D-PHE-OHDL-Phenylalanine, 4-chloro-N-[(1,1-dimethylethoxy)carbonyl]-Boc-4-Fluoro-L-Phe-OHBoc-DL-Phe(4-Cl)-OHBoc-DL-4-chlorophenylalaninBoc-DL-4-chlorophenylalanineSCHEMBL181849(S)-2-(tert-butoxycarbonylamino)-3-(4-chlorophenyl)propanoic acid(S)-2-(Boc-amino)-3-(4-chloro-phenyl)-propionic acid;Boc-4-chloro-Phe-OHDTXSID40400141N-Boc-4-chloro-DL-phenylalanineBETBOAZCLSJOBQ-UHFFFAOYSA-N(S)-N-BOC-4-ChlorophenylalanineBCA30186AKOS005349993AB02323AB02926CS-W005846
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