CAS 2645-08-1|ethyl (2S)-5-carbamimidamido-2-(phenylformamido)pentanoate hydrochloride|N2-Benzoyl-L-arginine ethyl ester hydrochloride|ethyl (2S)-5-carbamimidamido-2-(phenylformamido)pentanoate hydr...

General Information

Structure

Molecular Formula

C₁₅H₂₃ClN₄O₃

Molecular Mass

342.82112

Exact Mass

342.1458683

Charge

InChI

InChI=1S/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H/t12-;/m0./s1

InChIKey

HIXDELXKSSLIKB-YDALLXLXSA-N

Canonic Smiles

CCOC(=O)[C@@H](NC(=O)c1ccccc1)CCCNC(=N)N.Cl

Isomeric Smiles

N([C@H](C(=O)OCC)CCCNC(=N)N)C(=O)c1ccccc1.Cl

Calculated Properties

JChem

Acid pKa

15.026189

H Acceptors

H Donor

LogD (pH = 5.5)

-1.7286516

LogD (pH = 7.4)

-1.7258435

Log P

0.68677163

Molar Refractivity

93.5551

Polarizability

31.691725

Polar Surface Area

117.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N2-Benzoyl-L-arginine ethyl ester hydrochlorideEthyl (2S)-2-(benzoylamino)-5-guanidinopentanoate hydrochlorideEthyl (2S)-2-(benzoylamino)-5-carbamimidamidopentanoate hydrochlorideNα-Benzoyl-L-arginine ethyl ester hydrochlorideBAEEα-N-BENZOYL-L-ARGININE ETHYL ESTER HYDROCHLORIDEBz-Arg-Oet • HClN-α-苄基-L-精氨酸乙酯盐酸盐N-alpha-Benzoyl-L-arginine ethyl ester hydrochlorideEthyl N-benzoyl-L-argininate hydrochloride

IUPAC name

ethyl (2S)-5-carbamimidamido-2-(phenylformamido)pentanoate hydrochloride

IUPAC Traditional name

ethyl (2S)-5-carbamimidamido-2-(phenylformamido)pentanoate hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00012579

CAS Number

2645-08-1

PubChem SID

24891777162038270