Molecules/3-[[1-[[3-[3-(Aminomethyl)phenyl]-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid
3-[[1-[[3-[3-(Aminomethyl)phenyl]-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid
3-[[1-[[3-[3-(aminomethyl)phenyl]-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid
Molecular Identity
3-[[1-[[3-[3-(Aminomethyl)phenyl]-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid
3-[[1-[[3-[3-(aminomethyl)phenyl]-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid
PubChem CID: 24956885
2D Structure
Properties
C37H42N6O6S
Molecular Formula
698.80
Molecular Weight
g/mol
698.2887
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
226
TPSA
May have limited oral absorption
7
H-Bond Donors
9
H-Bond Acceptors
1210
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CCCC(C(=O)NC(CC2=CC(=CC=C2)CN)C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)CC4=CC(=CC=C4)C(=O)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)CCCC(C(=O)NC(CC2=CC(=CC=C2)CN)C(=O)NCC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)CC4=CC(=CC=C4)C(=O)OSynonyms(2)
MDCO-2010SCHEMBL16107253
Data from PubChem (NCBI)
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Molecular Structure
3-[[1-[[3-[3-(Aminomethyl)phenyl]-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid
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Drug Network
Trials and conditions connected to 3-[[1-[[3-[3-(Aminomethyl)phenyl]-1-[(4-carbamimidoylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid
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