ROSEOTOXIN S

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H39N3O8
Molecular Weight	485.5711
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C)[C@@H]1NC(=O)[C@@H](OC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](OC1=O)C(C)C)C(C)O)C(C)C

InChI

InChIKey=PKUOXRWYQWMYQK-AYBFGTKDSA-N

InChI=1S/C23H39N3O8/c1-9-12(6)15-23(32)34-18(11(4)5)21(30)26-16(14(8)27)19(28)24-13(7)22(31)33-17(10(2)3)20(29)25-15/h10-18,27H,9H2,1-8H3,(H,24,28)(H,25,29)(H,26,30)/t12-,13-,14+,15-,16-,17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H39N3O8
Molecular Weight	485.5711
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:17:48 GMT 2025` Edited by `admin` on `Tue Apr 01 17:17:48 GMT 2025`
Record UNII	R54M76YUD4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROSEOTOXIN S

Common Name

English

12-(1-HYDROXYETHYL)-6,15-DIISOPROPYL-9-METHYL-3-SEC-BUTYL-1,7-DIOXA-4,10,13-TRIAZACYCLOPENTADECANE-2,5,8,11,14-PENTONE

Preferred Name

English

CYCLO(ALANYL-3-METHYL-2-HYDROXYBUTANOYLISOLEUCYL-3-METHYL-2-HYDROXYBUTANOYLTHREONYL)

Systematic Name

English

CYCLO(ALANYL-2-HYDROXY-3-METHYLBUTANOYLISOLEUCYL-2-HYDROXY-3-METHYLBUTANOYLTHREONYL)

Systematic Name

English

Code System Code Type Description

FDA UNII

R54M76YUD4

Created by admin on Tue Apr 01 17:17:48 GMT 2025 , Edited by admin on Tue Apr 01 17:17:48 GMT 2025

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CAS

109267-08-5

Created by admin on Tue Apr 01 17:17:48 GMT 2025 , Edited by admin on Tue Apr 01 17:17:48 GMT 2025

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PUBCHEM

101688483

Created by admin on Tue Apr 01 17:17:48 GMT 2025 , Edited by admin on Tue Apr 01 17:17:48 GMT 2025

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