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Chemical structure of Super-TDU

GC61781

Super-TDU

Also known as 5-amino-4-[[1-[1-[6-amino-2-[[2-[[2-[[2-[[2-[[1-[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[2-[6-amino-1-[1-[2-[[4-amino-2-[2-[[2-[[6-amino-2-[[1-[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[2-[[2-[[2-[[3-carboxy-2-[[3-carboxy-2-[[2-[2-(1-hydroxy-3-oxopropan-2-yl)hydrazinyl]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoylamino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-4-oxobutanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1,2,6-trioxohexan-3-yl]hydrazinyl]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid

Super-TDU is a specific YAP antagonist targeting YAP-TEADs interaction· Super-TDU suppresses tumor growth in gastric cancer mouse model

ChemicalCAS1599441-71-0MW5279.94FormulaC237H370N66O69S
CAS number
1599441-71-0
Molecular weight
5279.94
Formula
C237H370N66O69S
InChIKey
VNAMPXYTTUOEFP-UHFFFAOYSA-N
Catalogue number
GC61781
Brand
GLPBIO
Computed properties PubChem CID 155886330 · XLogP -25.5 · TPSA 2170 Ų · H-bond donors 71
XLogP
-25.5
TPSA
2170 Ų
H-bond donors
71
H-bond acceptors
81
Rotatable bonds
173
Heavy atoms
373

SMILES CCC(C)C(C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)C(=O)C(CCC(=O)N)NNC(C(C)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CCCCN)C(=O)N7CCCC7C(=O)N8CCCC8C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC9=CNC1=CC=CC=C19)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NNC(CO)C=O

Computed descriptors from PubChem (CID 155886330), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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