1-(2-acetamido-4-methyl-pentanoyl)-N-[1-oxidanylidene-1-[2-(phenylmethyl)-1,3-dithian-2-yl]pentan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-acetamido-4-methyl-pentanoyl)-N-[1-oxidanylidene-1-[2-(phenylmethyl)-1,3-dithian-2-yl]pentan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-acetamido-4-methyl-pentanoyl)-N-[1-(2-benzyl-1,3-dithiane-2-carbonyl)butyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-acetamido-4-methyl-1-oxopentyl)-N-[1-oxo-1-[2-(phenylmethyl)-1,3-dithian-2-yl]pentan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-acetamido-4-methylpentanoyl)-N-[1-(2-benzyl-1,3-dithian-2-yl)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-acetamido-4-methyl-pentanoyl)-N-[1-(2-benzyl-1,3-dithiane-2-carbonyl)butyl]pyrrolidine-2-carboxamide Formula: C29H43N3O4S2 MolecularWeight: 561.79942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1(SCCCS1)CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C

Isomeric SMILES

CCCC(C(=O)C1(SCCCS1)CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C

InChI

InChI=1S/C29H43N3O4S2/c1-5-11-23(26(34)29(37-16-10-17-38-29)19-22-12-7-6-8-13-22)31-27(35)25-14-9-15-32(25)28(36)24(18-20(2)3)30-21(4)33/h6-8,12-13,20,23-25H,5,9-11,14-19H2,1-4H3,(H,30,33)(H,31,35)