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

Systemtic Name: (2S)-N-tert-butyl-3-[(2S,3S)-3-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-1-oxo-4-phenylbutyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CC2=CC=CC=C2)C(C(=O)C3CCNC3C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)C3CCN[C@@H]3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C27H35N3O5/c1-16-18(11-8-12-21(16)31)25(34)29-20(15-17-9-6-5-7-10-17)24(33)23(32)19-13-14-28-22(19)26(35)30-27(2,3)4/h5-12,19-20,22,24,28,31,33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t19?,20-,22-,24-/m0/s1