LN-1-255 FREE ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H20N2O9S
Molecular Weight	488.467
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N([C@@H](C(O)=O)[C@](C)(COC(=O)CC3=CC=C(O)C(O)=C3)S1(=O)=O)C(=O)\C2=C\C4=NC=CC=C4

InChI

InChIKey=YNTFTTQGRLUAOE-MPSDLUJOSA-N

InChI=1S/C22H20N2O9S/c1-22(11-33-17(27)9-12-5-6-15(25)16(26)8-12)18(21(29)30)24-19(28)14(20(24)34(22,31)32)10-13-4-2-3-7-23-13/h2-8,10,18,20,25-26H,9,11H2,1H3,(H,29,30)/b14-10-/t18-,20+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H20N2O9S
Molecular Weight	488.467
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:30:53 GMT 2023` Edited by `admin` on `Sat Dec 16 08:30:53 GMT 2023`
Record UNII	8UY4SYV5QK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LN-1-255 FREE ACID

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3-((((3,4-DIHYDROXYPHENYL)ACETYL)OXY)METHYL)-3-METHYL-7-OXO-6-(2-PYRIDINYLMETHYLENE)-, 4,4-DIOXIDE, (2S,3R,5R,6Z)-

Systematic Name

English

(2S,3R,5R,6Z)-3-(((2-(3,4-DIHYDROXYPHENYL)ACETYL)OXY)METHYL)-3-METHYL-4,4,7-TRIOXO-6-((PYRIDIN-2-YL)METHYLIDENE)-4LAMBDA6-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3-(((2-(3,4-DIHYDROXYPHENYL)ACETYL)OXY)METHYL)-3-METHYL-7-OXO-6-(2-PYRIDINYLMETHYLENE)-, 4,4-DIOXIDE, (2S,3R,5R,6Z)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10006540

Created by admin on Sat Dec 16 08:30:53 GMT 2023 , Edited by admin on Sat Dec 16 08:30:53 GMT 2023

PRIMARY

FDA UNII

8UY4SYV5QK

Created by admin on Sat Dec 16 08:30:53 GMT 2023 , Edited by admin on Sat Dec 16 08:30:53 GMT 2023

PRIMARY

CAS

748756-08-3

Created by admin on Sat Dec 16 08:30:53 GMT 2023 , Edited by admin on Sat Dec 16 08:30:53 GMT 2023

PRIMARY

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					8UY4SYV5QK

LN-1-255 FREE ACID

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