Molecules/2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid
2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid
2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid
Molecular Identity
2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid
2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid
PubChem CID: 447065
2D Structure
Properties
C30H31N5O6
Molecular Formula
557.60
Molecular Weight
g/mol
557.2274
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
179
TPSA
May have limited oral absorption
5
H-Bond Donors
7
H-Bond Acceptors
1070
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C(CC1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=CN3)C(=O)C(=O)O)NC(=O)CC4CCCN(C4)C(=N)NIsomeric SMILES
SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=CN3)C(=O)C(=O)O)NC(=O)C[C@H]4CCCN(C4)C(=N)NSynonyms(1)
CMM
Data from PubChem (NCBI)
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Molecular Structure
2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid
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Drug Network
Trials and conditions connected to 2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid
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