3-[2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(p-tolylsulfonylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[[2-[[3-(tosylcarbamoylamino)benzoyl]amino]acetyl]amino]propionic acid Formula: C25H25N5O7S MolecularWeight: 539.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C25H25N5O7S/c1-16-7-9-20(10-8-16)38(36,37)30-25(35)28-19-6-2-4-17(12-19)24(34)27-15-22(31)29-21(13-23(32)33)18-5-3-11-26-14-18/h2-12,14,21H,13,15H2,1H3,(H,27,34)(H,29,31)(H,32,33)(H2,28,30,35)