CAS 70375-22-3|Z-L-Arg 7-amido-4-methylcoumarin hydrochloride|Carbobenzoxy-L-arginine-7-amino-4-methylcoumarin hydrochloride|Z-L-Arginine-4-methyl-7-coumarinylamide hydrochloride|Z-Arg-MCA|Z-L-精氨...

General Information

Structure

Molecular Formula

C₂₄H₂₈ClN₅O₅

Molecular Mass

501.96262

Exact Mass

501.1778967

Charge

InChI

InChI=1S/C24H27N5O5.ClH/c1-15-12-21(30)34-20-13-17(9-10-18(15)20)28-22(31)19(8-5-11-27-23(25)26)29-24(32)33-14-16-6-3-2-4-7-16;/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3,(H,28,31)(H,29,32)(H4,25,26,27);1H/t19-;/m0./s1

InChIKey

JYWCRDUTYUBXOL-FYZYNONXSA-N

Canonic Smiles

NC(=N)NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)OCc1ccccc1.Cl

Isomeric Smiles

Cc1cc(=O)oc2c1ccc(c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1.Cl

Calculated Properties

JChem

Acid pKa

12.856979

H Acceptors

H Donor

LogD (pH = 5.5)

-0.19794886

LogD (pH = 7.4)

-0.19479755

Log P

1.8969314

Molar Refractivity

137.653

Polarizability

47.99764

Polar Surface Area

155.63

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Carbobenzoxy-L-arginine-7-amino-4-methylcoumarin hydrochlorideZ-L-Arg 7-amido-4-methylcoumarin hydrochlorideZ-Arg-MCAZ-L-Arginine-4-methyl-7-coumarinylamide hydrochlorideZ-L-精氨酸-7-胺基-4-甲基香豆素盐酸盐

IUPAC name

benzyl N-[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl]carbamate hydrochloride

IUPAC Traditional name

benzyl N-[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]butyl]carbamate hydrochloride

Names and Identifiers

Registration numbers

CAS Number

70375-22-3

Beilstein Number

4637954

MDL Number

MFCD00039019