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MARK Substrate

CAT: 0804-HY-P1583-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1583-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MARK Substrate is a MARK substrate peptide.
CAS Number
847991-34-8
UNSPSC
12352209
Target
MARK
Type
Peptides
Related Pathways
Cell Cycle/DNA Damage
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/MARK_Substrate.html
Purity
97.29
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
O=C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(NCC(N[C@@H](CO)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC(N)=O)N
Molecular Formula
C60H108N18O21
Molecular Weight
1417.61
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

MARK Substrate
CAS Number847991-34-8
PubChem CID170907780
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
Molecular FormulaC60H108N18O21
Molecular Weight1417.6
XLogP-12.1
Topological Polar Surface Area675
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count52
Heavy Atom Count99
Formal Charge0
Complexity2710
SMILES
CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C60H108N18O21/c1-8-31(6)47(77-52(90)35(16-10-13-21-62)69-55(93)41(28-80)75-50(88)34(15-9-12-20-61)70-58(96)46(30(4)5)76-49(87)33(64)24-42(65)82)57(95)67-26-44(84)68-40(27-79)56(94)78-48(32(7)81)59(97)71-36(18-19-45(85)86)51(89)74-39(25-43(66)83)54(92)73-38(23-29(2)3)53(91)72-37(60(98)99)17-11-14-22-63/h29-41,46-48,79-81H,8-28,61-64H2,1-7H3,(H2,65,82)(H2,66,83)(H,67,95)(H,68,84)(H,69,93)(H,70,96)(H,71,97)(H,72,91)(H,73,92)(H,74,89)(H,75,88)(H,76,87)(H,77,90)(H,78,94)(H,85,86)(H,98,99)/t31-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,46-,47-,48-/m0/s1
InChIKey
FRMPKKOKFUPGCO-UCASNNTISA-N
Chemical Structure
2D Structure
2D structure of MARK Substrate
CAS: 847991-34-8
CID: 170907780
Formula: C60H108N18O21
MW: 1417.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1417.6
XLogP3-12.1
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count25
Rotatable Bond Count52
Exact Mass1416.79364253
Monoisotopic Mass1416.79364253
Topological Polar Surface Area675 Ų
Heavy Atom Count99
Formal Charge0
Complexity2710
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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