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MK-5172

CAT: 0127-OR1005628-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1005628-02Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1206524-85-7
Purity
98%
Smiles
COC1=CC=C (N=C (CCCCC[C@@H]2C[C@H]2OC (N[C@@H] (C (C) (C) C) C3=O) =O) C (O[C@H]4CN3[C@H] (C (O) =O) C4) =N5) C5=C1

Chemical Information

MK-5172
CAS Number1206524-85-7
PubChem CID46930991
IUPAC Name(1R,18R,20R,24S,27S)-24-tert-butyl-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxylic acid
Molecular FormulaC29H38N4O7
Molecular Weight554.6
XLogP4.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity942
SMILES
CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)O)OC3=NC4=C(C=CC(=C4)OC)N=C3CCCCC[C@@H]5C[C@H]5OC(=O)N1
InChI
InChI=1S/C29H38N4O7/c1-29(2,3)24-26(34)33-15-18(14-22(33)27(35)36)39-25-20(30-19-11-10-17(38-4)13-21(19)31-25)9-7-5-6-8-16-12-23(16)40-28(37)32-24/h10-11,13,16,18,22-24H,5-9,12,14-15H2,1-4H3,(H,32,37)(H,35,36)/t16-,18-,22+,23-,24-/m1/s1
InChIKey
IVROMYPOGKZNLP-FDOFPDFBSA-N
Chemical Structure
2D Structure
2D structure of MK-5172
CAS: 1206524-85-7
CID: 46930991
Formula: C29H38N4O7
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass554.27404956
Monoisotopic Mass554.27404956
Topological Polar Surface Area140 Ų
Heavy Atom Count40
Formal Charge0
Complexity942
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A3618-5.1MK-5172
456309-01MK 5172
A3619-50MK-5172 hydrate
A13787-10MK-5172 10mg
B2337-5Grazoprevir (MK-5172)
A13787-5MK-5172 5mg
A13787-25MK-5172 25mg
A3620-100MK-5172 potassium salt
A3621-2MK-5172 sodium salt

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