NAFITHROMYCIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H62N6O11S
Molecular Weight	859.04
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](C(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]3([H])O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@@H]2C)OC)C(\N)=N\O[C@@H](C)C4=NN=C(S4)C5=CC=CC=N5

InChI

InChIKey=RLFCSBSRGRJFRO-QAOQTAGDSA-N

InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28-,29-,30+,33-,34-,40+,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H62N6O11S
Molecular Weight	859.04
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:49:22 UTC 2023` Edited by `admin` on `Sat Dec 16 08:49:22 UTC 2023`
Record UNII	75F74Y2R70
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NAFITHROMYCIN

Official Name

English

WCK-4873

Code

English

2H-FURO(2,3-C)OXACYCLOTETRADECIN-3-CARBOXIMIDAMIDE, 15-ETHYLTETRADECAHYDRO-8-METHOXY-4,6,8,10,12,15A-HEXAMETHYL-2,5,11,13-TETRAOXO-N'-((1S)-1-(5-(2-PYRIDINYL)-1,3,4-THIADIAZOL-2-YL)ETHOXY)-9-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)

Systematic Name

English

(3R,31Z,3AS,4R,6R,8R,9R,10R,12R,15R,15AS)-15-ETHYL-8-METHOXY-4,6,8,10,12,15A-HEXAMETHYL-2,5,11,13-TETRAOXO-N'-((1S)-1-(5-(PYRIDIN-2-YL)-1,3,4-THIADIAZOL-2-YL)ETHOXY)-9-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLOHEXOPYRANOSYL)OXY)TETRADECAHYDRO-2H-FU

Systematic Name

English

nafithromycin [INN]

Common Name

English

Code System Code Type Description

CAS

1691240-78-4