tert-butyl 4-ethanimidoyl-2-[4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-2-(quinolin-3-ylcarbamoyl)pyrrolidin-1-yl]carbonyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-ethanimidoyl-2-[4-[(2-oxidanyl-4-phenyl-butanoyl)amino]-2-(quinolin-3-ylcarbamoyl)pyrrolidin-1-yl]carbonyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-ethanimidoyl-2-[4-[(2-hydroxy-4-phenyl-butanoyl)amino]-2-(3-quinolylcarbamoyl)pyrrolidine-1-carbonyl]piperazine-1-carboxylate CAS Name: 2-[[4-[(2-hydroxy-1-oxo-4-phenylbutyl)amino]-2-[oxo-(3-quinolinylamino)methyl]-1-pyrrolidinyl]-oxomethyl]-4-(1-iminoethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethanimidoyl-2-[4-[(2-hydroxy-4-phenylbutanoyl)amino]-2-(quinolin-3-ylcarbamoyl)pyrrolidine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-acetimidoyl-2-[4-[(2-hydroxy-4-phenyl-butanoyl)amino]-2-(3-quinolylcarbamoyl)pyrrolidine-1-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C36H45N7O6 MolecularWeight: 671.7858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCN(C(C1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=N)N1CCN(C(C1)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C36H45N7O6/c1-23(37)41-16-17-42(35(48)49-36(2,3)4)30(22-41)34(47)43-21-27(40-33(46)31(44)15-14-24-10-6-5-7-11-24)19-29(43)32(45)39-26-18-25-12-8-9-13-28(25)38-20-26/h5-13,18,20,27,29-31,37,44H,14-17,19,21-22H2,1-4H3,(H,39,45)(H,40,46)