3-phenyl-3-[4-[[4-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid

Systemtic Name: 3-phenyl-3-[4-[[4-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 3-[4-[[4-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-phenyl-propanoic acid CAS Name: 3-[[4-[[oxo-[4-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]phenyl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[4-[[4-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-phenylpropanoic acid Traditional Name: 3-[[4-[[4-(benzylcarbamoylamino)benzoyl]amino]phenyl]thio]-3-phenyl-propionic acid Formula: C30H27N3O4S MolecularWeight: 525.61808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H27N3O4S/c34-28(35)19-27(22-9-5-2-6-10-22)38-26-17-15-24(16-18-26)32-29(36)23-11-13-25(14-12-23)33-30(37)31-20-21-7-3-1-4-8-21/h1-18,27H,19-20H2,(H,32,36)(H,34,35)(H2,31,33,37)