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
- Formal charge
- 0
- Complexity
- 388
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]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
上海超岚化工科技中心QQ:65489617 13301690235 · [email protected]
菏泽开发区创蠡化工科技有限公司0530-+86-530-529 6766,+86-15666160102 15666160102 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
陕西缔都医药化工有限公司029-88380327 17691182729 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
ANHUI BYERSEN BIOTECH CO. LTD+86-15385096007 +86-17755058861 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
6 records
Linked notes
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