Molecules/2-acetylamino-3-(4-(2-acetylamino-2-carboxyethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl)propionic acid
2-acetylamino-3-(4-(2-acetylamino-2-carboxyethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl)propionic acid
2-acetamido-3-[[4-[(2-acetamido-2-carboxyethyl)sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid
Molecular Identity
2-acetylamino-3-(4-(2-acetylamino-2-carboxyethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl)propionic acid
2-acetamido-3-[[4-[(2-acetamido-2-carboxyethyl)sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid
PubChem CID: 11504547
2D Structure
Properties
C18H22N4O6S4
Molecular Formula
518.70
Molecular Weight
g/mol
518.0422
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
272
TPSA
May have limited oral absorption
6
H-Bond Donors
10
H-Bond Acceptors
670
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(9)
2-acetylamino-3-(4-(2-acetylamino-2-carboxyethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl)propionic acid2-AAPA cpd2-acetylamino-3-[4-(2-acetylamino-2-carboxyethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl]propionic acidRefChem:909480NOT FOUND2-AAPASCHEMBL15660984BDBM2407892-acetamido-3-[[4-[(2-acetamido-2-carboxyethyl)sulfanylcarbothioylamino]phenyl]carbamothioylsulfanyl]propanoic acid
Data from PubChem (NCBI)
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Molecular Structure
2-acetylamino-3-(4-(2-acetylamino-2-carboxyethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl)propionic acid
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Drug Network
Trials and conditions connected to 2-acetylamino-3-(4-(2-acetylamino-2-carboxyethylsulfanylthiocarbonylamino)phenylthiocarbamoylsulfanyl)propionic acid
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