1-(((1-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL)SULFONYL)-L-ARGINYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID, (2R,4R)-

Details

Stereochemistry	EPIMERIC
Molecular Formula	C23H36N6O6S
Molecular Weight	524.634
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(((1-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL)SULFONYL)-L-ARGINYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID, (2R,4R)-

Structure Search

SMILES

C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C2=C3N(O)CC(C)CC3=CC=C2

InChI

InChIKey=IHHNDXAUDQQINR-IOVMHBDKSA-N

InChI=1S/C23H36N6O6S/c1-14-8-10-28(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)27-36(34,35)19-7-3-5-16-11-15(2)13-29(33)20(16)19/h3,5,7,14-15,17-18,27,33H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H36N6O6S
Molecular Weight	524.634
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:28:07 GMT 2025` Edited by `admin` on `Mon Mar 31 22:28:07 GMT 2025`
Record UNII	87TOP89YPP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARGATROBAN M4 METABOLITE

Preferred Name

English

1-(((1-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL)SULFONYL)-L-ARGINYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID, (2R,4R)-

Common Name

English

2-PIPERIDINECARBOXYLIC ACID, 1-(5-((AMINOIMINOMETHYL)AMINO)-1-OXO-2-(((1,2,3,4-TETRAHYDRO-1-HYDROXY-3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)PENTYL)-4-METHYL-

Systematic Name

English

(2R,4R)-1-(((1-HYDROXY-3-METHYL-1,2,3,4-TETRAHYDROQUINOLIN-8-YL)SULFONYL)-L-ARGINYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

107946-30-5

Created by admin on Mon Mar 31 22:28:07 GMT 2025 , Edited by admin on Mon Mar 31 22:28:07 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

86278237

Created by admin on Mon Mar 31 22:28:07 GMT 2025 , Edited by admin on Mon Mar 31 22:28:07 GMT 2025

PRIMARY

FDA UNII

87TOP89YPP

Created by admin on Mon Mar 31 22:28:07 GMT 2025 , Edited by admin on Mon Mar 31 22:28:07 GMT 2025

PRIMARY