6-(3'-METHOXY-5'-PHENYLISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLANIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H19N3O5S2
Molecular Weight	433.501
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-(3'-METHOXY-5'-PHENYLISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLANIC ACID

Structure Search

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(SN=C3OC)C4=CC=CC=C4)C(O)=O

InChI

InChIKey=NBMMTTMHTLSZTO-BTJLNZGRSA-N

InChI=1S/C19H19N3O5S2/c1-19(2)13(18(25)26)22-16(24)11(17(22)28-19)20-14(23)10-12(29-21-15(10)27-3)9-7-5-4-6-8-9/h4-8,11,13,17H,1-3H3,(H,20,23)(H,25,26)/t11-,13+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H19N3O5S2
Molecular Weight	433.501
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:14:40 GMT 2023` Edited by `admin` on `Sat Dec 16 10:14:40 GMT 2023`
Record UNII	55YB78VBFJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-(3'-METHOXY-5'-PHENYLISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLANIC ACID

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(3-METHOXY-5-PHENYL-4-ISOTHIAZOLECARBOXAMIDO)-3,3-DIMETHYL-7-OXO

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-METHOXY-5-PHENYL-4-ISOTHIAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S,5R,6R)-

Systematic Name

English

Code System Code Type Description

CAS

802007-13-2

Created by admin on Sat Dec 16 10:14:40 GMT 2023 , Edited by admin on Sat Dec 16 10:14:40 GMT 2023

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PUBCHEM

117587621

Created by admin on Sat Dec 16 10:14:40 GMT 2023 , Edited by admin on Sat Dec 16 10:14:40 GMT 2023

PRIMARY

FDA UNII

55YB78VBFJ

Created by admin on Sat Dec 16 10:14:40 GMT 2023 , Edited by admin on Sat Dec 16 10:14:40 GMT 2023

PRIMARY

Related Record Type Details


					C3O1G14LR1

POTASSIUM 6-(3'-METHOXY-5'-PHENYL-ISOTHIAZOL-4'-YL-FORMAMIDO)PENICILLINATE

SALT/SOLVATE -> PARENT