CEFDITOREN DIMER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H56N12O14S6
Molecular Weight	1253.452
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(\C=C/C3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C4=CSC(NCNC5=NC(=CS5)C(=N\OC)\C(=O)N[C@H]6[C@H]7SCC(\C=C/C8=C(C)N=CS8)=C(N7C6=O)C(=O)OCOC(=O)C(C)(C)C)=N4

InChI

InChIKey=DKCOGMPVRYSXGS-GRERCYAISA-N

InChI=1S/C51H56N12O14S6/c1-24-30(82-20-54-24)13-11-26-15-78-42-34(40(66)62(42)36(26)44(68)74-22-76-46(70)50(3,4)5)58-38(64)32(60-72-9)28-17-80-48(56-28)52-19-53-49-57-29(18-81-49)33(61-73-10)39(65)59-35-41(67)63-37(45(69)75-23-77-47(71)51(6,7)8)27(16-79-43(35)63)12-14-31-25(2)55-21-83-31/h11-14,17-18,20-21,34-35,42-43H,15-16,19,22-23H2,1-10H3,(H,52,56)(H,53,57)(H,58,64)(H,59,65)/b13-11-,14-12-,60-32-,61-33-/t34-,35-,42-,43-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

CEFDITOREN DIMER

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-2-(2-((((4-((4Z)-2-(((6R,7R)-2-(((2,2-DIMETHYL-1-OXOPROPOXY)METHOXY)CARBONYL)-3-((1Z)-2-(4-METHYL-5-THIAZOLYL)ETHENYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-EN-7-YL)AMINO)-1-(METHOXYIMINO)-2

Preferred Name

English

Code System Code Type Description

CAS

878002-85-8

Created by admin on Mon Mar 31 23:28:40 GMT 2025 , Edited by admin on Mon Mar 31 23:28:40 GMT 2025

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PUBCHEM

155929077

Created by admin on Mon Mar 31 23:28:40 GMT 2025 , Edited by admin on Mon Mar 31 23:28:40 GMT 2025

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FDA UNII

UPP5G59E4P

Created by admin on Mon Mar 31 23:28:40 GMT 2025 , Edited by admin on Mon Mar 31 23:28:40 GMT 2025

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SUBSTANCE RECORD


					UPP5G59E4P

CEFDITOREN DIMER