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69558-55-0

Basic Information
CAS No.: 69558-55-0
Name: Thymopentin
Article Data: 13
Molecular Structure:
Molecular Structure of 69558-55-0 (Thymopentin)
Formula: C30H49N9O9
Molecular Weight: 679.774
Synonyms: Thymopoietin pentapeptide;L-Tyrosine,L-arginyl-L-lysyl-L-R-aspartyl- L-valyl-;Timopentina [Spanish];L-Tyrosine, N-(N-(N-(N(sup 2)-L-arginyl-L-lysyl)-L-alpha-aspartyl)-L-valyl)-;(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-[[(1S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]propanoic acid;Thymopentin [USAN:BAN:INN];Arg-Lys-Asp-Val-Tyr;Thymopentin Acetate;Thymopentinum [Latin];L-Tyrosine, N-(N-(N-(N2-L-arginyl-L-lysyl)-L-alpha-aspartyl)-L-valyl)-;TP-5;Thymopentine [French];ORF-15244;TP-5 Acetate;Thymopentin (TP-5);Thymopentin(TP-5);Arg-Lys-Asp-Val-Tyr-OH;
EINECS: 811-641-8
Density: 1.44 g/cm3
Appearance: white
PSA: 325.17000
LogP: 1.96390
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Specification

1. Introduction of Thymopentin

Thymopentin, with the IUPAC Name of (3S)-3-[[(2S)-6-Amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid, is one kind of thymic polypeptide and interacts with T cells. This chemical belongs to the Product categories of Various Peptides.

2. Properties of Thymopentin

Thymopentin has the following properties: (1)Index of Refraction: 1.635; (2)Molar Refractivity: 168.49 cm3; (3)Molar Volume: 470.1 cm3; (4)Surface Tension: 62.3 dyne/cm; (5)Storage temp.: -20 °C; (6)XLogP3-AA: -6.4; (7)H-Bond Donor: 11; (8)H-Bond Acceptor: 14; (9)Rotatable Bond Count: 22; (10)Tautomer Count: 64; (11)Exact Mass: 679.365324; (12)MonoIsotopic Mass: 679.365324; (13)Topological Polar Surface Area: 328; (14)Heavy Atom Count: 48.

3. Structure Descriptors of Thymopentin

You could convert the following datas into the molecular structure:
(1). Canonical SMILES: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC=O)C(CCCN=C(N)N)N
(2). Isomeric 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
(3). 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-H3,(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
(4). InChIKey: PSWFFKRAVBDQEG-YGQNSOCVSA-N