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

Systemtic Name: (2S)-N-tert-butyl-1-[(2R,3S)-3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butyl]piperidine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butyl]piperidine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-phenylbutyl]-2-piperidinecarboxamide IUPAC Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutyl]piperidine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butyl]pipecolinamide Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(CN3CCCCC3C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CCCC[C@H]3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C28H39N3O4/c1-19-21(13-10-15-24(19)32)26(34)29-22(17-20-11-6-5-7-12-20)25(33)18-31-16-9-8-14-23(31)27(35)30-28(2,3)4/h5-7,10-13,15,22-23,25,32-33H,8-9,14,16-18H2,1-4H3,(H,29,34)(H,30,35)/t22-,23-,25+/m0/s1