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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27NO8S
Molecular Weight 465.517
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(2-METHOXY-5-((((1E)-2-(2,4,6-IMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-L-ALANINE

SMILES

COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(N[C@@H](C)C(O)=O)=C2)C(OC)=C1

InChI

InChIKey=KLFKGEAXNPYTKB-VFNNOXKTSA-N
InChI=1S/C22H27NO8S/c1-14(22(24)25)23-18-10-15(6-7-19(18)29-3)13-32(26,27)9-8-17-20(30-4)11-16(28-2)12-21(17)31-5/h6-12,14,23H,13H2,1-5H3,(H,24,25)/b9-8+/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H27NO8S
Molecular Weight 465.517
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:51:12 GMT 2023
Edited
by admin
on Fri Dec 15 18:51:12 GMT 2023
Record UNII
T3CJY8T8WU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-METHOXY-5-((((1E)-2-(2,4,6-IMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-L-ALANINE
Systematic Name English
ON-012380
Code English
(2S)-2-((2-METHOXY-5-(((1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENESULFONYL)METHYL)PHENYL)AMINO)PROPANOIC ACID
Systematic Name English
ON012380
Code English
(E)-2,4,6-TRIMETHOXYSTYRYL 3-(((S)-1-CARBOXYETHYL)AMINO)-4-METHOXYBENZYL SULFONE
Systematic Name English
L-ALANINE, N-(2-METHOXY-5-((((1E)-2-(2,4,6-TRIMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10322251
Created by admin on Fri Dec 15 18:51:13 GMT 2023 , Edited by admin on Fri Dec 15 18:51:13 GMT 2023
PRIMARY
CAS
592543-24-3
Created by admin on Fri Dec 15 18:51:13 GMT 2023 , Edited by admin on Fri Dec 15 18:51:13 GMT 2023
PRIMARY
FDA UNII
T3CJY8T8WU
Created by admin on Fri Dec 15 18:51:13 GMT 2023 , Edited by admin on Fri Dec 15 18:51:13 GMT 2023
PRIMARY