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Enteropeptidase

CAT: 0926-JAA01474-01Size: 100 UDry Ice: NoHazardous: No
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CAT#:0926-JAA01474-01Size:100 U
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CAS Number
9014-74-8
MDL Number
MFCD00131020
Controlled
No

Chemical Information

Enteropeptidase

A specialized proteolytic enzyme secreted by intestinal cells. It converts TRYPSINOGEN into its active form TRYPSIN by removing the N-terminal peptide. EC 3.4.21.9.

CAS Number9014-74-8
PubChem CID168009870
IUPAC Namebis(5-benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid);5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;bis(5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid);bis(5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid)
Molecular FormulaC148H230F2O26S8
Molecular Weight2719.9
Topological Polar Surface Area520
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count28
Rotatable Bond Count74
Heavy Atom Count184
Formal Charge0
Complexity2230
SMILES
CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)C1=CC=CC=C1
InChI
InChI=1S/C21H34O3S.2C19H30O4S.2C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;2*1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);2*7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)
InChIKey
VRASXGTWKFQRNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Enteropeptidase
CAS: 9014-74-8
CID: 168009870
Formula: C148H230F2O26S8
MW: 2719.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2719.9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count28
Rotatable Bond Count74
Exact Mass2718.4442680
Monoisotopic Mass2717.4409131
Topological Polar Surface Area520 Ų
Heavy Atom Count184
Formal Charge0
Complexity2230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count8
Covalently-Bonded Unit Count8
Compound Is CanonicalizedYes