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

Systemtic Name: 3-[3-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C29H26N4O4S MolecularWeight: 526.60614

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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=C3)SC(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=C3)SC(CC(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C29H26N4O4S/c34-27(35)17-26(22-10-6-14-30-19-22)38-25-13-5-12-24(16-25)32-28(36)21-9-4-11-23(15-21)33-29(37)31-18-20-7-2-1-3-8-20/h1-16,19,26H,17-18H2,(H,32,36)(H,34,35)(H2,31,33,37)