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94367-20-1 molecular structure
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3-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

ChemBase ID: 106434
Molecular Formular: C29H33N3O8
Molecular Mass: 551.58762
Monoisotopic Mass: 551.22676503
SMILES and InChIs

SMILES:
CC(C)C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)Nc1ccc2c(c1)oc(=O)cc2C
Canonical SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)Cc1ccc(cc1)O)NC(=O)CCC(=O)O)C
InChI:
InChI=1S/C29H33N3O8/c1-16(2)12-22(31-25(34)10-11-26(35)36)29(39)32-23(14-18-4-7-20(33)8-5-18)28(38)30-19-6-9-21-17(3)13-27(37)40-24(21)15-19/h4-9,13,15-16,22-23,33H,10-12,14H2,1-3H3,(H,30,38)(H,31,34)(H,32,39)(H,35,36)/t22-,23-/m0/s1
InChIKey:
RIYLNECMTVNMSO-GOTSBHOMSA-N

Cite this record

CBID:106434 http://www.chembase.cn/molecule-106434.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
IUPAC Traditional name
3-{[(1S)-1-{[(1S)-2-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid
Synonyms
Suc-Leu-Tyr-AMC
Suc-LY-AMC
Suc-Leu-Tyr-7-Amino-4-Methylcoumarin
CAS Number
94367-20-1
PubChem SID
162087319
PubChem CID
25108624

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
03AMC117 external link Add to cart Please log in.
Data Source Data ID
PubChem 25108624 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3265214  H Acceptors
H Donor LogD (pH = 5.5) 1.4793577 
LogD (pH = 7.4) -0.26776293  Log P 2.6791606 
Molar Refractivity 146.4552 cm3 Polarizability 55.885635 Å3
Polar Surface Area 171.13 Å2 Rotatable Bonds 12 
Lipinski's Rule of Five false 

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 - 03AMC117 external link
A fluorogenic substrate for the quantitative determination of Calpain Isozymes I, Calpain Isozymes II and E. Coli Protease Ti. Also suitable for measuring the peptidase activity of the 20S proteasome. Typical concentrations range from 10 - 100 μM, depending on assay conditions. PROTECT FROM LIGHT. PROTECT FROM MOISTURE.
Excitation max.: ~380 nm
Emission max.: ~460 nm

REFERENCES

REFERENCES

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  • • Sasaki, T. et al., J. Biol. Chem., 259:12489 (1984).
  • • Woo, K.M. et al., J. Biol. Chem., 264:2088 (1989).
  • • Seol, J.H., et al. 1989. FEBS Lett. 247, 197.
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PATENTS

PATENTS

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INTERNET

INTERNET

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