1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-2-(((3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)-1-OXOPENTYL)-4-METHYL-2-PIPERIDINECARBOXYLIC ACID, (2R,4R)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32N6O5S
Molecular Weight	504.602
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-2-(((3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)-1-OXOPENTYL)-4-METHYL-2-PIPERIDINECARBOXYLIC 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=CC(C)=CC3=CC=C2

InChI

InChIKey=YVJTZYSQJWCWQO-FHLIZLRMSA-N

InChI=1S/C23H32N6O5S/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/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H32N6O5S
Molecular Weight	504.602
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 18:32:23 GMT 2023` Edited by `admin` on `Sat Dec 16 18:32:23 GMT 2023`
Record UNII	7RD48GA3UA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-2-(((3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)-1-OXOPENTYL)-4-METHYL-2-PIPERIDINECARBOXYLIC ACID, (2R,4R)-

Common Name

English

(2R,4R)-1-(N5-(DIAMINOMETHYLENE)-N2-((3-METHYL-8-QUINOLINYL)SULFONYL)-L-ORNITHYL)-4-METHYL-2-PIPERIDINECARBOXYLIC ACID

Systematic Name

English

(2R,4R)-1-((2S)-5-(DIAMINOMETHYLIDENEAMINO)-2-((3-METHYLQUINOLIN-8-YL)SULFONYLAMINO)PENTANOYL)-4-METHYLPIPERIDINE-2-CARBOXYLIC ACID

Systematic Name

English

2-PIPERIDINECARBOXYLIC ACID, 1-((2S)-5-((AMINOIMINOMETHYL)AMINO)-2-(((3-METHYL-8-QUINOLINYL)SULFONYL)AMINO)-1-OXOPENTYL)-4-METHYL-, (2R,4R)-

Systematic Name

English

ARGATROBAN M1 METABOLITE

Common Name

English

Code System Code Type Description

FDA UNII

7RD48GA3UA

Created by admin on Sat Dec 16 18:32:23 GMT 2023 , Edited by admin on Sat Dec 16 18:32:23 GMT 2023

PRIMARY

PUBCHEM

10962209

Created by admin on Sat Dec 16 18:32:23 GMT 2023 , Edited by admin on Sat Dec 16 18:32:23 GMT 2023

PRIMARY

CAS

951130-92-0

Created by admin on Sat Dec 16 18:32:23 GMT 2023 , Edited by admin on Sat Dec 16 18:32:23 GMT 2023

PRIMARY

CAS

69130-17-2

Created by admin on Sat Dec 16 18:32:23 GMT 2023 , Edited by admin on Sat Dec 16 18:32:23 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY