N-(2-METHOXY-5-((((1E)-2-(2,4,6-IMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-L-ALANINE

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	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	T3CJY8T8WU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ON-012380

Preferred Name

English

N-(2-METHOXY-5-((((1E)-2-(2,4,6-IMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-L-ALANINE

Systematic Name

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

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Code System

Code

Type

Description

PUBCHEM

10322251

PRIMARY

CAS

592543-24-3

PRIMARY

FDA UNII

T3CJY8T8WU

PRIMARY

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					T3CJY8T8WU

N-(2-METHOXY-5-((((1E)-2-(2,4,6-IMETHOXYPHENYL)ETHENYL)SULFONYL)METHYL)PHENYL)-L-ALANINE

ACTIVE MOIETY

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