VALIFENALATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C19H27ClN2O5
Molecular Weight	398.881
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CC(NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)C1=CC=C(Cl)C=C1

InChI

InChIKey=DBXFMOWZRXXBRN-LWKPJOBUSA-N

InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H27ClN2O5
Molecular Weight	398.881
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Fungi 3 Target ID: CHEMBL613063 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25286613	Inhibitor 8504
cellulose biosynthetic process 1 Target ID: GO:0030244 Sources: https://sitem.herts.ac.uk/aeru/ppdb/en/Reports/1659.htm	Inhibitor 8504

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:12:29 GMT 2025` Edited by `admin` on `Wed Apr 02 12:12:29 GMT 2025`
Record UNII	S4BR27QQ5S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALIFENALATE [ISO]

Preferred Name

English

VALIFENALATE

Official Name

English

VALIPHENAL

Common Name

English

.BETA.-ALANINE, N-((1-METHYLETHOXY)CARBONYL)-L-VALYL-3-(4-CHLOROPHENYL)-, METHYL ESTER

Systematic Name

English

IR 5885

Common Name

English

METHYL (3RS)-3-(4-CHLOROPHENYL)-N-(N-(ISOPROPOXYCARBONYL)-L-VALYL)-.BETA.-ALANINATE

Systematic Name

English

METHYL 3-(4-CHLOROPHENYL)-N-(((1-METHYLETHOXY)CARBONYL)-L-VALYL)-.BETA.-ALANINATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID6058051