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103476-89-7 molecular structure
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bis(N-(5-carbamimidamido-1-oxopentan-2-yl)-2-(2-acetamido-4-methylpentanamido)-4-methylpentanamide); sulfuric acid

ChemBase ID: 103379
Molecular Formular: C40H78N12O12S
Molecular Mass: 951.18552
Monoisotopic Mass: 950.558287
SMILES and InChIs

SMILES:
CC(C)CC(NC(=O)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C=O.CC(C)CC(NC(=O)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C=O.OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.O=CC(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C)CCCNC(=N)N.O=CC(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C)CCCNC(=N)N
InChI:
InChI=1S/2C20H38N6O4.H2O4S/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4)
InChIKey:
CIPMKIHUGVGQTG-UHFFFAOYSA-N

Cite this record

CBID:103379 http://www.chembase.cn/molecule-103379.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(N-(5-carbamimidamido-1-oxopentan-2-yl)-2-(2-acetamido-4-methylpentanamido)-4-methylpentanamide); sulfuric acid
IUPAC Traditional name
bis(N-(5-carbamimidamido-1-oxopentan-2-yl)-2-(2-acetamido-4-methylpentanamido)-4-methylpentanamide); sulfuric acid
Synonyms
Acetyl-Leu-Leu-Arg-al
LEUPEPTIN
CAS Number
103476-89-7
PubChem SID
162091301
PubChem CID
44134798

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02151553 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134798 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.4916725  H Acceptors
H Donor LogD (pH = 5.5) -2.8089597 
LogD (pH = 7.4) -2.8059762  Log P -0.7743988 
Molar Refractivity 124.3835 cm3 Polarizability 44.33278 Å3
Polar Surface Area 166.27 Å2 Rotatable Bonds 28 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
-20°C, Desiccate, Protect from light expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02151553 external link
Hemisulfate Inhibitor for trypsin, plasmin, papain, and cathepsin B.

REFERENCES

REFERENCES

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  • • Kondo, S., et al., Chem. Pharm. Bull., 17: 1869, (1969).
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PATENTS

PATENTS

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