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

Systemtic Name: 3-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]phenyl]sulfinyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[2-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfinyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[2-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]phenyl]sulfinyl-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfinyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[2-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfinyl-3-(3-pyridyl)propionic acid Formula: C29H26N4O5S MolecularWeight: 542.60554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3S(=O)C(CC(=O)O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3S(=O)C(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C29H26N4O5S/c34-27(35)17-26(22-11-7-15-30-19-22)39(38)25-14-5-4-13-24(25)33-28(36)21-10-6-12-23(16-21)32-29(37)31-18-20-8-2-1-3-9-20/h1-16,19,26H,17-18H2,(H,33,36)(H,34,35)(H2,31,32,37)