CHEBI:124939 - N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine

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ChEBI Name N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
ChEBI ID CHEBI:124939
ChEBI ASCII Name N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
Definition A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H25NO8S
Net Charge 0
Average Mass 451.490
Monoisotopic Mass 451.13009
InChI InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)
InChIKey OWBFCJROIKNMGD-UHFFFAOYSA-N
SMILES C1(=CC(=C(C(=C1)OC)C(=C(S(CC2=CC=C(C(=C2)NCC(O)=O)OC)(=O)=O)[H])[H])OC)OC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939) is a glycine derivative (CHEBI:24373)
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939) is a methoxybenzenes (CHEBI:51683)
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939) is a monocarboxylic acid (CHEBI:25384)
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939) is a olefinic compound (CHEBI:78840)
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939) is a sulfone (CHEBI:35850)
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939) is conjugate acid of [2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate (CHEBI:91436)
Incoming rigosertib (CHEBI:145417) is a N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939)
[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate (CHEBI:91436) is conjugate base of N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine (CHEBI:124939)
IUPAC Name
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine
Synonyms Sources
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]anilino]acetic acid ChEBI
[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid ChEBI
Manual Xref Database
LSM-44954 LINCS
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Last Modified
19 November 2019
General Comment
2019-11-19 This is material with unspecified double bond configuration.