K11002

CAT: 0931-T202052-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T202052-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1348565-08-1

Bioactivity

K11002 is a peptide-based cysteine protease inhibitor.

Smiles

[C@H](CC1=CC=CC=C1)(C(N[C@H](/C=C/S(=O)(=O)C2=CC=CC=C2)CCC3=CC=CC=C3)=O)NC(=O)N4CCOCC4.Br

Molecular Formula

C31H36BrN3O5S

Molecular Weight

642.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 9829299

CAS Number	1348565-08-1
PubChem CID	9829299
IUPAC Name	N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
Molecular Formula	C31H35N3O5S
Molecular Weight	561.7
XLogP	4
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Heavy Atom Count	40
Formal Charge	0
Complexity	910

SMILES

C1COCCN1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)/C=C/S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H35N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,18,23,27,29H,16-17,19-22,24H2,(H,32,35)(H,33,36)/b23-18+/t27-,29-/m0/s1

InChIKey

HSZIWISHLSFWJO-PRABLTMGSA-N

Chemical Structure

2D Structure

CAS: 1348565-08-1

CID: 9829299

Formula: C31H35N3O5S

MW: 561.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	561.7
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	561.22974240
Monoisotopic Mass	561.22974240
Topological Polar Surface Area	113 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	910
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19242505-01	K11002

K11002

Chemical Information

Alternative Products

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