Molecules/2-(1-methyl-1H-imidazol-2-yl)ethyl (S)-3-(5-chlorothiophene-2-carboxamido)-2-((2-ethyl-3-((S)-3-hydroxy-2-oxopyrrolidin-1-yl)phenyl)sulfonamido)propanoate
2-(1-methyl-1H-imidazol-2-yl)ethyl (S)-3-(5-chlorothiophene-2-carboxamido)-2-((2-ethyl-3-((S)-3-hydroxy-2-oxopyrrolidin-1-yl)phenyl)sulfonamido)propanoate
2-(1-methylimidazol-2-yl)ethyl (2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[2-ethyl-3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]sulfonylamino]propanoate
Molecular Identity
2-(1-methyl-1H-imidazol-2-yl)ethyl (S)-3-(5-chlorothiophene-2-carboxamido)-2-((2-ethyl-3-((S)-3-hydroxy-2-oxopyrrolidin-1-yl)phenyl)sulfonamido)propanoate
2-(1-methylimidazol-2-yl)ethyl (2S)-3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[2-ethyl-3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]phenyl]sulfonylamino]propanoate
PubChem CID: 167495591
2D Structure
Properties
C26H30ClN5O7S2
Molecular Formula
624.10
Molecular Weight
g/mol
623.1275
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
197
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
1050
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=C(C=CC=C1S(=O)(=O)NC(CNC(=O)C2=CC=C(S2)Cl)C(=O)OCCC3=NC=CN3C)N4CCC(C4=O)OIsomeric SMILES
SMILES: CCC1=C(C=CC=C1S(=O)(=O)N[C@@H](CNC(=O)C2=CC=C(S2)Cl)C(=O)OCCC3=NC=CN3C)N4CC[C@@H](C4=O)OSynonyms(20)
2915316-40-2BAY 3389934A1JDJ2-(1-methyl-1H-imidazol-2-yl)ethyl (S)-3-(5-chlorothiophene-2-carboxamido)-2-((2-ethyl-3-((S)-3-hydroxy-2-oxopyrrolidin-1-yl)phenyl)sulfonamido)propanoateorb3029015CHEMBL6199607SCHEMBL25098137GTPL13845YQF0006BDBM639349EX-A12472AT48510BAY3389934US20230391761, Example 1US20230391761, Example 2
Data from PubChem (NCBI)
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Molecular Structure
2-(1-methyl-1H-imidazol-2-yl)ethyl (S)-3-(5-chlorothiophene-2-carboxamido)-2-((2-ethyl-3-((S)-3-hydroxy-2-oxopyrrolidin-1-yl)phenyl)sulfonamido)propanoate
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Drug Network
Trials and conditions connected to 2-(1-methyl-1H-imidazol-2-yl)ethyl (S)-3-(5-chlorothiophene-2-carboxamido)-2-((2-ethyl-3-((S)-3-hydroxy-2-oxopyrrolidin-1-yl)phenyl)sulfonamido)propanoate
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