Tumor Necrosis Factor-alpha
(3S)-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-4-oxobutanoic acid
Molecular Identity
Tumor Necrosis Factor-alpha
(3S)-4-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]-4-oxobutanoic acid
PubChem CID: 44356648
2D Structure
Properties
C27H50N10O10
Molecular Formula
674.70
Molecular Weight
g/mol
674.3711
Exact Mass
Da
-9
XLogP
Drug-like (Lipinski: < 5)
357
TPSA
May have limited oral absorption
12
H-Bond Donors
13
H-Bond Acceptors
1100
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC(C(=O)NC(CO)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCCN)NIsomeric SMILES
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NSynonyms(20)
TNF-alphaCachectinTumor necrosis factor-alphaCachectinsTNFalphaCachectin proteinsTNF alphaTumor necrosis factorTNF Receptor LigandsRefChem:900712Tumor Necrosis Factor alphaTNF Superfamily, Member 24TVX2I407KCachectin Tumor Necrosis FactorCachectin-Tumor Necrosis Factor
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tumor Necrosis Factor-alpha
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