[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H26N4O6S/c23-22(29)25-19(16-7-2-1-3-8-16)14-21(28)32-15-20(27)24-17-9-6-10-18(13-17)33(30,31)26-11-4-5-12-26/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,24,27)(H3,23,25,29)