3-phenyl-3-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid

Systemtic Name: 3-phenyl-3-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 3-[2-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-phenyl-propanoic acid CAS Name: 3-[[2-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]phenyl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[2-[[3-(benzylcarbamoylamino)benzoyl]amino]phenyl]sulfanyl-3-phenylpropanoic acid Traditional Name: 3-[[2-[[3-(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=CC(=C2)C(=O)NC3=CC=CC=C3SC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3SC(CC(=O)O)C4=CC=CC=C4

InChI

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