N-tert-butyl-1-[1-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-oxidanyl-4-phenyl-butyl]-4-(pyridin-3-ylmethylsulfanyl)pyrrolidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[1-[2-(2,6-dimethylphenoxy)ethanoylamino]-2-oxidanyl-4-phenyl-butyl]-4-(pyridin-3-ylmethylsulfanyl)pyrrolidine-2-carboxamide Openeye Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(3-pyridylmethylsulfanyl)pyrrolidine-2-carboxamide CAS Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-hydroxy-4-phenylbutyl]-4-(3-pyridinylmethylthio)-2-pyrrolidinecarboxamide IUPAC Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(pyridin-3-ylmethylsulfanyl)pyrrolidine-2-carboxamide Traditional Name: N-tert-butyl-1-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenyl-butyl]-4-(3-pyridylmethylthio)pyrrolidine-2-carboxamide Formula: C35H46N4O4S MolecularWeight: 618.82914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NC(C(CCC2=CC=CC=C2)O)N3CC(CC3C(=O)NC(C)(C)C)SCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NC(C(CCC2=CC=CC=C2)O)N3CC(CC3C(=O)NC(C)(C)C)SCC4=CN=CC=C4

InChI

InChI=1S/C35H46N4O4S/c1-24-11-9-12-25(2)32(24)43-22-31(41)37-33(30(40)17-16-26-13-7-6-8-14-26)39-21-28(44-23-27-15-10-18-36-20-27)19-29(39)34(42)38-35(3,4)5/h6-15,18,20,28-30,33,40H,16-17,19,21-23H2,1-5H3,(H,37,41)(H,38,42)