MDL-19592

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H17N3O6S.H2O
Molecular Weight	409.414
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC4=C(OCO4)C=C3)C(O)=O

InChI

InChIKey=DNOCHEWRDUJAEL-AVYMFEIISA-N

InChI=1S/C17H17N3O6S.H2O/c1-7-5-27-16-12(15(22)20(16)13(7)17(23)24)19-14(21)11(18)8-2-3-9-10(4-8)26-6-25-9;/h2-4,11-12,16H,5-6,18H2,1H3,(H,19,21)(H,23,24);1H2/t11-,12-,16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C17H17N3O6S
Molecular Weight	391.398
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:33:03 GMT 2023` Edited by `admin` on `Fri Dec 15 15:33:03 GMT 2023`
Record UNII	QF659S0IIH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MDL-19592

Code

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINO-1,3-BENZODIOXOL-5-YLACETYL)AMINO)-3-METHYL-8-OXO-, MONOHYDRATE, (6R-(6.ALPHA.,7.BETA.(R*)))-

Systematic Name

English

RMI-19592

Code

English

Code System Code Type Description

FDA UNII

QF659S0IIH

Created by admin on Fri Dec 15 15:33:03 GMT 2023 , Edited by admin on Fri Dec 15 15:33:03 GMT 2023

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PUBCHEM

16072191

Created by admin on Fri Dec 15 15:33:03 GMT 2023 , Edited by admin on Fri Dec 15 15:33:03 GMT 2023

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CAS

70222-85-4

Created by admin on Fri Dec 15 15:33:03 GMT 2023 , Edited by admin on Fri Dec 15 15:33:03 GMT 2023

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