3-pyridin-3-yl-3-[2-[[3-[(4-sulfamoylphenyl)methylcarbamoylamino]phenyl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[2-[[3-[(4-sulfamoylphenyl)methylcarbamoylamino]phenyl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[2-[[3-[(4-sulfamoylphenyl)methylcarbamoylamino]benzoyl]amino]acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-[[oxo-[(4-sulfamoylphenyl)methylamino]methyl]amino]phenyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[2-[[3-[(4-sulfamoylphenyl)methylcarbamoylamino]benzoyl]amino]acetyl]amino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[[3-[(4-sulfamoylbenzyl)carbamoylamino]benzoyl]amino]acetyl]amino]propionic acid Formula: C25H26N6O7S MolecularWeight: 554.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C25H26N6O7S/c26-39(37,38)20-8-6-16(7-9-20)13-29-25(36)30-19-5-1-3-17(11-19)24(35)28-15-22(32)31-21(12-23(33)34)18-4-2-10-27-14-18/h1-11,14,21H,12-13,15H2,(H,28,35)(H,31,32)(H,33,34)(H2,26,37,38)(H2,29,30,36)