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CHEBI:83973 - N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe

ChEBI IDCHEBI:83973
ChEBI NameN-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe
Stars
ASCII NameN-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe
DefinitionA dipeptide comprising of phenylglycine derived residues linked by peptide bonds.
Last Modified3 March 2015
Submitternamrata
DownloadsMolfile
FormulaC22H22Cl2I2N2O7
Net Charge0
Average Mass751.139
Monoisotopic Mass749.88935
SMILESCOC(=O)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c1cc(Cl)c(O)c(Cl)c1)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C22H22Cl2I2N2O7/c1-22(2,3)35-21(33)28-15(9-5-11(23)17(29)12(24)6-9)19(31)27-16(20(32)34-4)10-7-13(25)18(30)14(26)8-10/h5-8,15-16,29-30H,1-4H3,(H,27,31)(H,28,33)/t15-,16-/m1/s1
InChIKeyXXXRFVMVWOYPTE-HZPDHXFCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe (CHEBI:83973) is a carbamate ester (CHEBI:23003)
N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe (CHEBI:83973) is a dichlorobenzene (CHEBI:23697)
N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe (CHEBI:83973) is a dipeptide (CHEBI:46761)
N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe (CHEBI:83973) is a methyl ester (CHEBI:25248)
N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe (CHEBI:83973) is a organoiodine compound (CHEBI:37142)
N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe (CHEBI:83973) is a polyphenol (CHEBI:26195)
IUPAC Name 
methyl (2R)-{[(2R)-2-[(tert-butoxycarbonyl)amino]-2-(3,5-dichloro-4-hydroxyphenyl)acetyl]amino}(4-hydroxy-3,5-diiodophenyl)acetate
Synonyms  Source
methyl (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-(4-hydroxy-3,5-diiodophenyl)acetateChEBI
(R,R)-N-tert-butoxycarbonyl-3',5'-dichloro-4'-hydroxyphenylglycyl-4'-hydroxy-3',5'-diiodophenylglycine methyl esterChEBI
Registry NumbersSources
Reaxys:10222099Reaxys