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Thymopentin

CAT: 0013-GTR19153550Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153550Size:20 mg
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Description
Thymopentin
CAS Number
69558-55-0
Purity
> 98%, Standard References
Smiles
C=C (C) C1=CC=C (C=O) C=C1.[SnH2]
Molecular Formula
C10H14OSn
Molecular Weight
268.93
Notes
For research use only.

Chemical Information

Thymopentin

Thymopentin is an oligopeptide.

CAS Number69558-55-0
PubChem CID451417
IUPAC Name(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC30H49N9O9
Molecular Weight679.8
XLogP-6.4
Topological Polar Surface Area328
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count22
Heavy Atom Count48
Formal Charge0
Complexity1110
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)/t19-,20-,21-,22-,24-/m0/s1
InChIKey
PSWFFKRAVBDQEG-YGQNSOCVSA-N
Chemical Structure
2D Structure
2D structure of Thymopentin
CAS: 69558-55-0
CID: 451417
Formula: C30H49N9O9
MW: 679.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight679.8
XLogP3-6.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count22
Exact Mass679.36532417
Monoisotopic Mass679.36532417
Topological Polar Surface Area328 Ų
Heavy Atom Count48
Formal Charge0
Complexity1110
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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CatalogName
4002968.0100Thymopentin

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