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Thiomyristoyl 5mg

CAT: 0628-A17166-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A17166-5Size:5 mg
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CAS Number
1429749-41-6

Chemical Information

Thiomyristoyl
CAS Number1429749-41-6
PubChem CID126843233
IUPAC Namebenzyl N-[(2S)-1-anilino-1-oxo-6-(tetradecanethioylamino)hexan-2-yl]carbamate
Molecular FormulaC34H51N3O3S
Molecular Weight581.9
XLogP9.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Heavy Atom Count41
Formal Charge0
Complexity693
SMILES
CCCCCCCCCCCCCC(=S)NCCCC[C@@H](C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C34H51N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-32(41)35-27-20-19-25-31(33(38)36-30-23-16-13-17-24-30)37-34(39)40-28-29-21-14-12-15-22-29/h12-17,21-24,31H,2-11,18-20,25-28H2,1H3,(H,35,41)(H,36,38)(H,37,39)/t31-/m0/s1
InChIKey
CJQGLLUJIVNREL-HKBQPEDESA-N
Chemical Structure
2D Structure
2D structure of Thiomyristoyl
CAS: 1429749-41-6
CID: 126843233
Formula: C34H51N3O3S
MW: 581.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.9
XLogP39.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count23
Exact Mass581.36511367
Monoisotopic Mass581.36511367
Topological Polar Surface Area112 Ų
Heavy Atom Count41
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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