EcoDrugPlus


Synonyms	L-arginine, n2-((4-methylphenyl)sulfonyl)-, methyl ester Methyl p-toluenesulfonyl-l-argininate N1-tosyl-l-arginine methyl ester Tame (pharmaceutical)
Status
Molecule Category	Free-form
UNII	1H7BKF44U1

Synonyms

L-arginine, n2-((4-methylphenyl)sulfonyl)-, methyl ester

Methyl p-toluenesulfonyl-l-argininate

N1-tosyl-l-arginine methyl ester

Tame (pharmaceutical)

Status

Molecule Category

Free-form

UNII

1H7BKF44U1


InChI Key	FKMJXALNHKIDOD-LBPRGKRZSA-N
Smiles	COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1
InChI	InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1

InChI Key

FKMJXALNHKIDOD-LBPRGKRZSA-N

Smiles

COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1

InChI

InChI=1S/C14H22N4O4S/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17)/t12-/m0/s1

Property Name	Value
Molecular Formula	C14H22N4O4S
Molecular Weight	342.42
AlogP	-0.13
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	136.87
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C14H22N4O4S

Molecular Weight

342.42

AlogP

-0.13

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

136.87

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

23.0

Resources	Reference
ChEBI	62167
ChEMBL	CHEMBL44752
FDA SRS	1H7BKF44U1
SureChEMBL	SCHEMBL324561
ZINC	ZINC000001639578

Resources

Reference

ChEBI

ChEMBL

FDA SRS

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

METHYL P-TOLUENESULFONYL-L-ARGININATE

Structure

Physicochemical Descriptors

Cross References