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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H29F2NO9
Molecular Weight 585.5494
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S)-1-(4-FLUOROPHENYL)-3-((2S,3R)-1-(4-FLUOROPHENYL)-2-(4-HYDROXYPHENYL)-4-OXO-3-AZETIDINYL)PROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

SMILES

[H][C@@]5(O[C@@H](CC[C@@H]1[C@H](N(C1=O)C2=CC=C(F)C=C2)C3=CC=C(O)C=C3)C4=CC=C(F)C=C4)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=MPXLJVWGRVISEQ-ADEYADIWSA-N
InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(41-30-26(37)24(35)25(36)27(42-30)29(39)40)14-13-21-23(16-3-11-20(34)12-4-16)33(28(21)38)19-9-7-18(32)8-10-19/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H29F2NO9
Molecular Weight 585.5494
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:43:45 GMT 2023
Edited
by admin
on Sat Dec 16 15:43:45 GMT 2023
Record UNII
E575Y24YTQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S)-1-(4-FLUOROPHENYL)-3-((2S,3R)-1-(4-FLUOROPHENYL)-2-(4-HYDROXYPHENYL)-4-OXO-3-AZETIDINYL)PROPYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
SCH 488128
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S)-1-(4-FLUOROPHENYL)-3-((2S,3R)-1-(4-FLUOROPHENYL)-2-(4-HYDROXYPHENYL)-4-OXO-3-AZETIDINYL)PROPYL
Systematic Name English
Code System Code Type Description
CAS
536709-33-8
Created by admin on Sat Dec 16 15:43:45 GMT 2023 , Edited by admin on Sat Dec 16 15:43:45 GMT 2023
PRIMARY
FDA UNII
E575Y24YTQ
Created by admin on Sat Dec 16 15:43:45 GMT 2023 , Edited by admin on Sat Dec 16 15:43:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID00678703
Created by admin on Sat Dec 16 15:43:45 GMT 2023 , Edited by admin on Sat Dec 16 15:43:45 GMT 2023
PRIMARY
PUBCHEM
49849668
Created by admin on Sat Dec 16 15:43:45 GMT 2023 , Edited by admin on Sat Dec 16 15:43:45 GMT 2023
PRIMARY
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