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07859

Sigma-Aldrich

SARS Protease Substrate

≥85% (HPLC)

Synonym(s):
L-Valyl-L-seryl-L-valyl-L-asparaginyl-L-seryl-L-threonyl-L-leucyl-L-glutaminyl-L-serylglycyl-L-leucyl-L-arginyl-L-lysyl-L-methionyl-L-alanine, Val-Ser-Val-Asn- Ser-Thr-Leu-Gln-Ser-Gly-Leu-Arg-Lys-Met-Ala
Empirical Formula (Hill Notation):
C66H119N21O22S
CAS Number:
Molecular Weight:
1590.84
MDL number:
PubChem Substance ID:
NACRES:
NA.32

Quality Level

assay

≥85% (HPLC)

storage temp.

−20°C

SMILES string

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O

InChI

1S/C66H119N21O22S/c1-30(2)23-40(57(100)78-37(16-14-21-73-66(71)72)55(98)77-36(15-12-13-20-67)54(97)80-39(19-22-110-11)53(96)75-34(9)65(108)109)76-48(94)26-74-52(95)43(27-88)83-56(99)38(17-18-46(68)92)79-58(101)41(24-31(3)4)81-64(107)51(35(10)91)87-61(104)44(28-89)84-59(102)42(25-47(69)93)82-63(106)50(33(7)8)86-60(103)45(29-90)85-62(105)49(70)32(5)6/h30-45,49-51,88-91H,12-29,67,70H2,1-11H3,(H2,68,92)(H2,69,93)(H,74,95)(H,75,96)(H,76,94)(H,77,98)(H,78,100)(H,79,101)(H,80,97)(H,81,107)(H,82,106)(H,83,99)(H,84,102)(H,85,105)(H,86,103)(H,87,104)(H,108,109)(H4,71,72,73)/t34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-,51-/m0/s1

InChI key

KPAXWJVUQQAPFD-KZVXTNNVSA-N

Application

Enzyme substrate for the assays of the SARS coronavirus main protease

Biochem/physiol Actions

A study for determining substrate specificity for the SARS main protease indicated that the best substrates contained residues with high β-sheet propensity at positions P5 and P3., small hydrophobic residues at P4, hydrophobic residues without β-branching at residue P2 and a GLN for residue P1.

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Certificate of Origin

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