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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe
ChEBI ID CHEBI:83973
ChEBI ASCII Name N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe
Definition A dipeptide comprising of phenylglycine derived residues linked by peptide bonds.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H22Cl2I2N2O7
Net Charge 0
Average Mass 751.13400
Monoisotopic Mass 749.88935
InChI InChI=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
InChIKey XXXRFVMVWOYPTE-HZPDHXFCSA-N
SMILES COC(=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
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(R,R)-N-tert-butoxycarbonyl-3',5'-dichloro-4'-hydroxyphenylglycyl-4'-hydroxy-3',5'-diiodophenylglycine methyl ester ChEBI
methyl (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-(4-hydroxy-3,5-diiodophenyl)acetate ChEBI
Registry Number Type Source
10222099 Reaxys Registry Number Reaxys
Last Modified
03 March 2015