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Chemical structure of TP508

GC34255

TP508

Also known as (4S)-4-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-5-[[2-[[(2S)-6-amino-1-[[(2S)-5-carbamimidamido-1-[[2-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2R)-1-[[(2S)-4-carboxy-1-[[2-[[(2S)-3-carboxy-1-[[(2S)-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

TP508 is a 23-amino acid nonproteolytic thrombin peptide that represents a portion of the receptor-binding domain of thrombin molecule

ChemicalCAS121341-81-9MW2312.44FormulaC97H146N28O36S
CAS number
121341-81-9
Molecular weight
2312.44
Formula
C97H146N28O36S
Solubility
Soluble in Water
InChIKey
MOZAQZCGIKWACU-VKDININFSA-N
Catalogue number
GC34255
Brand
GLPBIO
Computed properties PubChem CID 44149698 · XLogP -17.2 · TPSA 1030 Ų · H-bond donors 35
XLogP
-17.2
TPSA
1030 Ų
H-bond donors
35
H-bond acceptors
41
Rotatable bonds
75
Heavy atoms
162

SMILES C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)O)N

Computed descriptors from PubChem (CID 44149698), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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