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Chemical structure of DfTat

GC68969

DfTat

Also known as 5-[[(5S)-5-[[(2R)-2-amino-3-[[(2R)-2-amino-3-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-[[4-[3,6-bis(dimethylamino)xanthen-10-ium-9-yl]-3-carboxylatobenzoyl]amino]-1-oxohexan-2-yl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-6-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]carbamoyl]-2-[3,6-bis(dimethylamino)xanthen-10-ium-9-yl]benzoate

DfTat is a fluorescently labeled dimer of the typical cell-penetrating peptide TAT, which can efficiently deliver small molecules, peptides, and proteins into live cells· DfTat labeled with rhodamine can serve as an easily detectable tracer

ChemicalCAS2035480-78-3MW4076.82FormulaC178H292N74O34S2
CAS number
2035480-78-3
Molecular weight
4076.82
Formula
C178H292N74O34S2
Solubility
H2O : 10 mg/mL (2·45 mM; Need ultrasonic)
InChIKey
KSTZLDWQORDIJC-DVAUBDQTSA-N
Catalogue number
GC68969
Brand
GLPBIO
Computed properties PubChem CID 171921304 · TPSA 1920 Ų · H-bond donors 70 · H-bond acceptors 56
TPSA
1920 Ų
H-bond donors
70
H-bond acceptors
56
Rotatable bonds
151
Heavy atoms
288

SMILES CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=CC3=[O+]2)N(C)C)C4=C(C=C(C=C4)C(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CCCCNC(=O)C5=CC(=C(C=C5)C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(C)C)N(C)C)C(=O)[O-])C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)N)N)C(=O)[O-]

Computed descriptors from PubChem (CID 171921304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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