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Cathepsin E substrate e

CAT: 0931-TXB-00593-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TXB-00593-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246741-19-4
Target
Cysteine Protease
Related Pathways
Proteases/Proteasome
Bioactivity
Cathepsin Esubstrate e serves as a substrate for cathepsin E. It is designed so that the close proximity of the Mca donor and Dnp acceptor results in almost complete intramolecular quenching in its intact form. Upon cleavage of the hydrophobic motif of the peptide substrate by the protease, Mca and Dnp separate, leading to bright fluorescence.
Smiles
C(C(N[C@H](C(NCC(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(N[C@H](C(=O)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](CCCNC(=N)N)C(N)=O)=O)CCCCNC3=C(N(=O)=O)C=C(N(=O)=O)C=C3)=O)C)=O)CCC2)CC(C)C)=O)CO)=O)=O)=O)C)=O)C=4C=5C(=CC(OC)=CC5)OC(=O)C4
Molecular Formula
C61H82N16O18
Molecular Weight
1327.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide
CAS Number1246741-19-4
PubChem CID101524591
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide
Molecular FormulaC61H82N16O18
Molecular Weight1327.4
XLogP1.1
Topological Polar Surface Area520
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count20
Rotatable Bond Count35
Heavy Atom Count95
Formal Charge0
Complexity2770
SMILES
C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)OC
InChI
InChI=1S/C61H82N16O18/c1-33(2)25-45(73-58(87)46(32-78)74-57(86)44(26-36-13-7-6-8-14-36)70-51(80)31-67-54(83)34(3)68-50(79)27-37-28-52(81)95-49-30-39(94-5)19-20-40(37)49)60(89)75-24-12-17-47(75)59(88)69-35(4)55(84)72-43(56(85)71-42(53(62)82)16-11-23-66-61(63)64)15-9-10-22-65-41-21-18-38(76(90)91)29-48(41)77(92)93/h6-8,13-14,18-21,28-30,33-35,42-47,65,78H,9-12,15-17,22-27,31-32H2,1-5H3,(H2,62,82)(H,67,83)(H,68,79)(H,69,88)(H,70,80)(H,71,85)(H,72,84)(H,73,87)(H,74,86)(H4,63,64,66)/t34-,35-,42+,43-,44-,45-,46-,47-/m0/s1
InChIKey
AAIWALLSVHKGAY-BRHSRUOZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-(2,4-dinitroanilino)-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[2-[[(2S)-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide
CAS: 1246741-19-4
CID: 101524591
Formula: C61H82N16O18
MW: 1327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1327.4
XLogP31.1
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count20
Rotatable Bond Count35
Exact Mass1326.59929983
Monoisotopic Mass1326.59929983
Topological Polar Surface Area520 Ų
Heavy Atom Count95
Formal Charge0
Complexity2770
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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