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Cyclolinopeptide C

CAT: 0013-GTR19228846-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228846-02Size:5 mg
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Description
Cyclolinopeptide C (CAS 222527-65-3) is a cyclic peptide utilized in life science research. It serves as a valuable tool in biochemical studies for investigating peptide-protein interactions and biological activity in both in vitro and cellular assay systems.
CAS Number
222527-65-3
Smiles
CCC (C) C1NC (=O) C (NC (=O) C (Cc2ccccc2) NC (=O) C (Cc2ccccc2) NC (=O) C2CCCN2C (=O) C2CCCN2C (=O) C (NC (=O) C (CC (C) C) NC (=O) C (CCS (C) =O) NC1=O) C (C) CC) C (C) C
Molecular Formula
C56H83N9O10S
Molecular Weight
1074.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclolinopeptide C
CAS Number222527-65-3
PubChem CID85185200
IUPAC Name24,27-dibenzyl-9,18-di(butan-2-yl)-12-(2-methylpropyl)-15-(2-methylsulfinylethyl)-21-propan-2-yl-1,7,10,13,16,19,22,25,28-nonazatricyclo[28.3.0.03,7]tritriacontane-2,8,11,14,17,20,23,26,29-nonone
Molecular FormulaC56H83N9O10S
Molecular Weight1074.4
XLogP5.5
Topological Polar Surface Area281
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Heavy Atom Count76
Formal Charge0
Complexity2050
SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)CC4=CC=CC=C4)CC5=CC=CC=C5)C(C)CC)CC(C)C)CCS(=O)C
InChI
InChI=1S/C56H83N9O10S/c1-10-35(7)46-54(72)57-39(26-29-76(9)75)48(66)58-40(30-33(3)4)50(68)63-47(36(8)11-2)56(74)65-28-19-25-44(65)55(73)64-27-18-24-43(64)52(70)60-41(31-37-20-14-12-15-21-37)49(67)59-42(32-38-22-16-13-17-23-38)51(69)61-45(34(5)6)53(71)62-46/h12-17,20-23,33-36,39-47H,10-11,18-19,24-32H2,1-9H3,(H,57,72)(H,58,66)(H,59,67)(H,60,70)(H,61,69)(H,62,71)(H,63,68)
InChIKey
AJMNWUJOFAQRLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclolinopeptide C
CAS: 222527-65-3
CID: 85185200
Formula: C56H83N9O10S
MW: 1074.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1074.4
XLogP35.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count14
Exact Mass1073.59836105
Monoisotopic Mass1073.59836105
Topological Polar Surface Area281 Ų
Heavy Atom Count76
Formal Charge0
Complexity2050
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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