EBOPIPRANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34FN3O5S2
Molecular Weight	599.736
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](N)C(=O)OCC[C@H](NC(=O)[C@@H]1SCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(F)C=C4

InChI

InChIKey=UUIBKACUTXYSAK-YCVJPRETSA-N

InChI=1S/C30H34FN3O5S2/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35)/t26-,27-,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H34FN3O5S2
Molecular Weight	599.736
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 14:51:11 GMT 2023` Edited by `admin` on `Sat Dec 16 14:51:11 GMT 2023`
Record UNII	Z1AVZ44TEJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EBOPIPRANT

Official Name

English

L-VALINE, (3S)-3-((((2S)-3-((1,1'-BIPHENYL)-4-YLSULFONYL)-2-THIAZOLIDINYL)CARBONYL)AMINO)-3-(4-FLUOROPHENYL)PROPYL ESTER

Systematic Name

English

OBE022

Code

English

OBE-022

Code

English

ebopiprant [INN]

Common Name

English

Ebopiprant [WHO-DD]

Common Name

English

(3S)-3-((2S)-3-((1,1'-BIPHENYL)-4-SULFONYL)-1,3-THIAZOLIDINE-2-CARBOXAMIDO)-3-(4-FLUOROPHENYL)PROPYL L-VALINATE

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C174951