ETRASIMOD METABOLITE M3

Details

Stereochemistry	UNKNOWN
Molecular Formula	C26H26F3NO4
Molecular Weight	473.4841
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0
Stereo Comments	relative stereochemistry on cyclopentyl ring

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1CC[C@H](C1)C2=C(C=C(COC3=CC=C4NC5=C(CC[C@@H]5CC(O)=O)C4=C3)C=C2)C(F)(F)F

InChI

InChIKey=YBEZYOAWFBWNOH-ZACQAIPSSA-N

InChI=1S/C26H26F3NO4/c27-26(28,29)22-9-14(1-6-19(22)15-2-4-17(31)10-15)13-34-18-5-8-23-21(12-18)20-7-3-16(11-24(32)33)25(20)30-23/h1,5-6,8-9,12,15-17,30-31H,2-4,7,10-11,13H2,(H,32,33)/t15-,16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H26F3NO4
Molecular Weight	473.4841
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:51:20 UTC 2023` Edited by `admin` on `Sat Dec 16 18:51:20 UTC 2023`
Record UNII	EJ5DH6Q9GH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETRASIMOD METABOLITE M3

Common Name

English

CYCLOPENT(B)INDOLE-3-ACETIC ACID, 1,2,3,4-TETRAHYDRO-7-((4-((1SR,3RS)-3-HYDROXYCYCLOPENTYL)-3-(TRIFLUOROMETHYL)PHENYL)METHOXY)-, (3R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

EJ5DH6Q9GH

Created by admin on Sat Dec 16 18:51:20 UTC 2023 , Edited by admin on Sat Dec 16 18:51:20 UTC 2023

PRIMARY

PUBCHEM

153543810

Created by admin on Sat Dec 16 18:51:20 UTC 2023 , Edited by admin on Sat Dec 16 18:51:20 UTC 2023

PRIMARY

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Interaction Type:

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