3-[2-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfinyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(aminocarbonylamino)phenyl]carbonylamino]phenyl]sulfinyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(3-pyridyl)-3-[2-[(3-ureidobenzoyl)amino]phenyl]sulfinyl-propanoic acid CAS Name: 3-[2-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]phenyl]sulfinyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[[3-(carbamoylamino)benzoyl]amino]phenyl]sulfinyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(3-pyridyl)-3-[2-[(3-ureidobenzoyl)amino]phenyl]sulfinyl-propionic acid Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O5S/c23-22(30)25-16-7-3-5-14(11-16)21(29)26-17-8-1-2-9-18(17)32(31)19(12-20(27)28)15-6-4-10-24-13-15/h1-11,13,19H,12H2,(H,26,29)(H,27,28)(H3,23,25,30)