(2S)-N-tert-butyl-1-[(2R,3S)-3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-tert-butyl-1-[(2R,3S)-3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-phenylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butyl]pyrrolidine-2-carboxamide Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(CN3CCCC3C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CCC[C@H]3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C27H37N3O4/c1-18-20(12-8-14-23(18)31)25(33)28-21(16-19-10-6-5-7-11-19)24(32)17-30-15-9-13-22(30)26(34)29-27(2,3)4/h5-8,10-12,14,21-22,24,31-32H,9,13,15-17H2,1-4H3,(H,28,33)(H,29,34)/t21-,22-,24+/m0/s1