KNI-1224

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H41N5O7S
Molecular Weight	735.848
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSC[C@H](NC(=O)COC1=CC=CC2=CN=CC=C12)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)C(=O)N(CC4=CC=CC=C4)NC(=O)C5=CC=CC(O)=C5C

InChI

InChIKey=PBWHFEZFRADJNF-BMQPFVSWSA-N

InChI=1S/C40H41N5O7S/c1-26-30(16-10-17-34(26)46)38(49)44-45(23-28-13-7-4-8-14-28)40(51)37(48)32(21-27-11-5-3-6-12-27)43-39(50)33(25-53-2)42-36(47)24-52-35-18-9-15-29-22-41-20-19-31(29)35/h3-20,22,32-33,37,46,48H,21,23-25H2,1-2H3,(H,42,47)(H,43,50)(H,44,49)/t32-,33-,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H41N5O7S
Molecular Weight	735.848
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 `Mon Mar 31 22:43:31 GMT 2025` Edited by `admin` on `Mon Mar 31 22:43:31 GMT 2025`
Record UNII	RKB6TSV7JY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENEBUTANOIC ACID, .ALPHA.-HYDROXY-.BETA.-(((2R)-2-(((5-ISOQUINOLINYLOXY)ACETYL)AMINO)-3-(METHYLTHIO)-1-OXOPROPYL)AMINO)-, 2-(3-HYDROXY-2-METHYLBENZOYL)-1-(PHENYLMETHYL)HYDRAZIDE, (.ALPHA.S,.BETA.S)-

Preferred Name

English

KNI-1224

Code

English

KNI1224

Code

English

(.ALPHA.S,.BETA.S)-.ALPHA.-HYDROXY-.BETA.-(((2R)-2-((2-(5-ISOQUINOLINYLOXY)ACETYL)AMINO)-3-(METHYLTHIO)-1-OXOPROPYL)AMINO)BENZENEBUTANOIC ACID 2-(3-HYDROXY-2-METHYLBENZOYL)-1-(PHENYLMETHYL)HYDRAZIDE

Systematic Name

English

BENZENEBUTANOIC ACID, .ALPHA.-HYDROXY-.BETA.-(((2R)-2-((2-(5-ISOQUINOLINYLOXY)ACETYL)AMINO)-3-(METHYLTHIO)-1-OXOPROPYL)AMINO)-, 2-(3-HYDROXY-2-METHYLBENZOYL)-1-(PHENYLMETHYL)HYDRAZIDE, (.ALPHA.S,.BETA.S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

157010652

Created by admin on Mon Mar 31 22:43:31 GMT 2025 , Edited by admin on Mon Mar 31 22:43:31 GMT 2025

PRIMARY

CAS

521275-27-4

Created by admin on Mon Mar 31 22:43:31 GMT 2025 , Edited by admin on Mon Mar 31 22:43:31 GMT 2025

PRIMARY

FDA UNII

RKB6TSV7JY

Created by admin on Mon Mar 31 22:43:31 GMT 2025 , Edited by admin on Mon Mar 31 22:43:31 GMT 2025

PRIMARY

Related Record Type Details


					RKB6TSV7JY

KNI-1224

ACTIVE MOIETY