Benzoylarginine ethyl ester

HCID 123880CAS 971-21-1

Basic information

Standard SMILES
CCOC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccc1
InChIKey
YQDHCCVUYCIGSW-LBPRGKRZSA-N
Molecular formula
C15H22N4O3
Average molar mass
306.36 g/mol
Monoisotopic mass
306.16919056

Overview

used as substrate for trypsin; RN given refers to parent cpd

Names & identifiers

Preferred name
Benzoylarginine ethyl ester
IUPAC
ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate
English name
N-α-Benzoyl-L-arginine ethyl ester hydrochloride
Molecular formula
C15H22N4O3
Molecular weight
306.36

Names & synonyms

971-21-1Benzoyl-L-arginine ethyl esterBAEEbenzoylarginine ethyl esterEthyl-alpha-N-benzoyl-L-arginatealpha(N)-Benzoyl-L-arginine ethyl esterRefChem:118794Bz-Arg-Etethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoateL-Arginine,N2-benzoyl-, ethyl esterL-Arginine, N2-benzoyl-, ethyl esterMaybridge1_005957
Show more names
Bz-Arg-OEtBz-L-Arg-OEtNα-Benzoylarginine ethylbenzoylarginineethylesterEthyl benzoyl-l-argininate
benzoyl arginine ethyl esterEthyl N-benzoyl-L-arginineSCHEMBL80453CHEMBL2323122SCHEMBL29887841DTXSID50914183EX-A4137AKOS030212152

Database identifiers

CAS
971-21-1
PubChem CID
123880
DTXSID
DTXSID50914183
ChEMBL
CHEMBL2323122
Nikkaji
J231.720F

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
120 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
22

Physicochemical properties

Density
1.23 · 1.23±0.1 g/cm3(Predicted)
pka
13.14 · 13.14±0.46(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers14 total

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]

Related reactions

6 records

Linked notes

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