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Cyclolinopeptide C

CAT: 0931-T125303-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125303-01Size:1 mg
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CAS Number
222527-65-3
Target
Others
Related Pathways
Others
Bioactivity
Cyclolinopeptide C is a useful organic compound for research related to life sciences. The catalog number is T125303 and the CAS number is 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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
BUP04797-01Cyclolinopeptide A
H-4056.0005Cyclolinopeptide B
MBS5790786Cyclolinopeptide C
FC109164-01Cyclolinopeptide B Cyclo (-Pro-Pro-Phe-Phe-Val-Ile-Met-Leu-Ile)

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