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Thymopentin acetate

CAT: 0013-GTR19220187Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220187Size:2 mg
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Description
Thymopentin acetate is a synthetic immunomodulatory peptide derived from thymic epithelium. With a short plasma half-life of 30 seconds, it promotes T-cell differentiation from human embryonic stem cells in vitro and is used in research on immunodeficiency and T-cell development.
CAS Number
89318-88-7
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (C) (O) =O.[C@H] (C (N[C@H] (C (N[C@@H] (CC1=CC=C (O) C=C1) C (O) =O) =O) [C@@H] (C) C) =O) (NC ([C@@H] (NC ([C@H] (CCCNC (=N) N) N) =O) CCCCN) =O) CC (O) =O
Molecular Formula
C32H53N9O11
Molecular Weight
739.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thymopentin monoacetate
CAS Number89318-88-7
PubChem CID53230082
IUPAC Nameacetic acid;(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 FormulaC32H53N9O11
Molecular Weight739.8
Topological Polar Surface Area365
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Heavy Atom Count52
Formal Charge0
Complexity1140
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.CC(=O)O
InChI
InChI=1S/C30H49N9O9.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t19-,20-,21-,22-,24-;/m0./s1
InChIKey
YRTISBKUCLDRGF-ADVSENJOSA-N
Chemical Structure
2D Structure
2D structure of Thymopentin monoacetate
CAS: 89318-88-7
CID: 53230082
Formula: C32H53N9O11
MW: 739.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight739.8
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Exact Mass739.38645354
Monoisotopic Mass739.38645354
Topological Polar Surface Area365 Ų
Heavy Atom Count52
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes