(2S)-N-tert-butyl-4-chloranyl-1-[3-[(2-methylphenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-tert-butyl-4-chloranyl-1-[3-[(2-methylphenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-4-chloro-1-[2-hydroxy-3-[(2-methylbenzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-tert-butyl-4-chloro-1-[2-hydroxy-3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-tert-butyl-4-chloro-1-[2-hydroxy-3-[(2-methylbenzoyl)amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-4-chloro-1-[2-hydroxy-3-(o-toluoylamino)-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Formula: C27H34ClN3O4 MolecularWeight: 500.02956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(CC3C(=O)NC(C)(C)C)Cl)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C(C(=O)N3CC(C[C@H]3C(=O)NC(C)(C)C)Cl)O

InChI

InChI=1S/C27H34ClN3O4/c1-17-10-8-9-13-20(17)24(33)29-21(14-18-11-6-5-7-12-18)23(32)26(35)31-16-19(28)15-22(31)25(34)30-27(2,3)4/h5-13,19,21-23,32H,14-16H2,1-4H3,(H,29,33)(H,30,34)/t19?,21?,22-,23?/m0/s1