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65286-27-3 molecular structure
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(2S)-2-amino-5-carbamimidamido-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide

ChemBase ID: 103023
Molecular Formular: C16H21N5O3
Molecular Mass: 331.36964
Monoisotopic Mass: 331.16443956
SMILES and InChIs

SMILES:
Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCCNC(=N)N)ccc12
Canonical SMILES:
NC(=N)NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N
InChI:
InChI=1S/C16H21N5O3/c1-9-7-14(22)24-13-8-10(4-5-11(9)13)21-15(23)12(17)3-2-6-20-16(18)19/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,21,23)(H4,18,19,20)/t12-/m0/s1
InChIKey:
ZSQPDAOJXSYJNP-LBPRGKRZSA-N

Cite this record

CBID:103023 http://www.chembase.cn/molecule-103023.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-5-carbamimidamido-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanamide
IUPAC Traditional name
(2S)-2-amino-5-carbamimidamido-N-(4-methyl-2-oxochromen-7-yl)pentanamide
Synonyms
L-ARGININE-4-METHYLCOUMARYL-7-AMIDE
L-Arg-AMC
L-R-AMC
L-Arg-7-Amino-4-Methylcoumarin
CAS Number
65286-27-3
PubChem SID
162090312
PubChem CID
196428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 196428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.094936  H Acceptors
H Donor LogD (pH = 5.5) -4.672977 
LogD (pH = 7.4) -2.9778905  Log P -0.24529505 
Molar Refractivity 101.973 cm3 Polarizability 34.337605 Å3
Polar Surface Area 143.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 03AMC002 external link
A fluorogenic substrate for Cathepsin H.
MP Biomedicals - 02150386 external link
Fluorogenic substrate

REFERENCES

REFERENCES

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  • • Kanaoka, Y. et al., Chem. Pharm. Bul., 25:3126 (1997).
  • • Rothe, M. and Dodt, J. et al., Eur. J. Biochem., 210:759 (1992).
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PATENTS

PATENTS

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INTERNET

INTERNET

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