CEFIDEROCOL 7-EPI

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34ClN7O10S2
Molecular Weight	752.215
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12SCC(C[N+]4(CCNC(=O)C3=C(Cl)C(O)=C(O)C=C3)CCCC4)=C(N1C(=O)[C@@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C5=CSC(N)=N5)C([O-])=O

InChI

InChIKey=DBPPRLRVDVJOCL-RXFWQSSRSA-N

InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H34ClN7O10S2
Molecular Weight	752.215
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:39:48 UTC 2023` Edited by `admin` on `Sat Dec 16 15:39:48 UTC 2023`
Record UNII	I63B282QY2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEFIDEROCOL 7-EPI

Common Name

English

CEFIDEROCOL METABOLITE M10

Common Name

English

(6R,7S)-7-(((2Z)-2-(2-AMINOTHIAZOL-4-YL)-2-(2-HYDROXY-1,1-DIMETHYL-2-OXO-ETHOXY)IMINO-ACETYL)AMINO)-3-((1-(2-((2-CHLORO-3,4-DIHYDROXY-BENZOYL)AMINO)ETHYL)PYRROLIDIN-1-IUM-1-YL)METHYL)-8-OXO-5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

FDA UNII

I63B282QY2

Created by admin on Sat Dec 16 15:39:48 UTC 2023 , Edited by admin on Sat Dec 16 15:39:48 UTC 2023

PRIMARY

PUBCHEM

145996783

Created by admin on Sat Dec 16 15:39:48 UTC 2023 , Edited by admin on Sat Dec 16 15:39:48 UTC 2023

PRIMARY

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CEFIDEROCOL

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