(2S,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid

Details

Stereochemistry	EPIMERIC
Molecular Formula	C23H36N6O5S
Molecular Weight	508.634
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid

Structure Search

SMILES

C[C@@H]1CCN([C@@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C2=C3NCC(C)CC3=CC=C2

InChI

InChIKey=KXNPVXPOPUZYGB-YZYLHUITSA-N

InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H36N6O5S
Molecular Weight	508.634
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 `Wed Apr 02 19:15:59 GMT 2025` Edited by `admin` on `Wed Apr 02 19:15:59 GMT 2025`
Record UNII	MG75N7KX6V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, (2S,4R)-

Preferred Name

English

(2S,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid

Systematic Name

English

Code System Code Type Description

FDA UNII

MG75N7KX6V

Created by admin on Wed Apr 02 19:15:59 GMT 2025 , Edited by admin on Wed Apr 02 19:15:59 GMT 2025

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PUBCHEM

6335411

Created by admin on Wed Apr 02 19:15:59 GMT 2025 , Edited by admin on Wed Apr 02 19:15:59 GMT 2025

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CAS

189264-02-6

Created by admin on Wed Apr 02 19:15:59 GMT 2025 , Edited by admin on Wed Apr 02 19:15:59 GMT 2025

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