N-tert-butyl-4-chloranyl-3-[3-[(2-ethyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-tert-butyl-4-chloranyl-3-[3-[(2-ethyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: N-tert-butyl-4-chloro-3-[3-[(2-ethyl-3-hydroxy-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: N-tert-butyl-4-chloro-3-[3-[[(2-ethyl-3-hydroxyphenyl)-oxomethyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: N-tert-butyl-4-chloro-3-[3-[(2-ethyl-3-hydroxybenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: N-tert-butyl-4-chloro-3-[3-[(2-ethyl-3-hydroxy-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Formula: C28H36ClN3O5 MolecularWeight: 530.05554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)C3C(CNC3C(=O)NC(C)(C)C)Cl)O

Isomeric SMILES

CCC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)C3C(CNC3C(=O)NC(C)(C)C)Cl)O

InChI

InChI=1S/C28H36ClN3O5/c1-5-17-18(12-9-13-21(17)33)26(36)31-20(14-16-10-7-6-8-11-16)24(34)25(35)22-19(29)15-30-23(22)27(37)32-28(2,3)4/h6-13,19-20,22-24,30,33-34H,5,14-15H2,1-4H3,(H,31,36)(H,32,37)