N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-5-nitro-benzamide

Systemtic Name: N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-5-nitro-benzamide Openeye Name: N-[(1R,2R)-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-methyl-5-nitro-benzamide CAS Name: N-[(2R,3R)-4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-2-methyl-5-nitrobenzamide IUPAC Name: N-[(2R,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-methyl-5-nitrobenzamide Traditional Name: N-[(1R,2R)-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-methyl-5-nitro-benzamide Formula: C33H35N3O5S MolecularWeight: 585.7131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N[C@@H](CSC2=CC3=CC=CC=C3C=C2)[C@@H](CC4=CC=CC=C4C(=O)NC(C)(C)C)O

InChI

InChI=1S/C33H35N3O5S/c1-21-13-15-25(36(40)41)19-28(21)31(38)34-29(20-42-26-16-14-22-9-5-6-10-23(22)17-26)30(37)18-24-11-7-8-12-27(24)32(39)35-33(2,3)4/h5-17,19,29-30,37H,18,20H2,1-4H3,(H,34,38)(H,35,39)/t29-,30+/m0/s1