5-oxidanylidene-5-phenylazanyl-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-phenylazanyl-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]pentanoic acid Openeye Name: 5-anilino-5-oxo-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]pentanoic acid CAS Name: 5-anilino-5-oxo-2-[[4-[4-(1-pyrrolidinyl)phenyl]phenyl]sulfonylamino]pentanoic acid IUPAC Name: 5-anilino-5-oxo-2-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]sulfonylamino]pentanoic acid Traditional Name: 5-anilino-5-keto-2-[[4-(4-pyrrolidinophenyl)phenyl]sulfonylamino]valeric acid Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CCC(=O)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)NC(CCC(=O)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H29N3O5S/c31-26(28-22-6-2-1-3-7-22)17-16-25(27(32)33)29-36(34,35)24-14-10-21(11-15-24)20-8-12-23(13-9-20)30-18-4-5-19-30/h1-3,6-15,25,29H,4-5,16-19H2,(H,28,31)(H,32,33)