2-(dimethylcarbamoylamino)-N-[4-[dimethylcarbamoyl-(4-methyl-2-oxidanylidene-1-thiophen-2-yl-pentan-3-yl)amino]-1-phenyl-butyl]-3-methyl-2-oxidanyl-butanamide

Systemtic Name: 2-(dimethylcarbamoylamino)-N-[4-[dimethylcarbamoyl-(4-methyl-2-oxidanylidene-1-thiophen-2-yl-pentan-3-yl)amino]-1-phenyl-butyl]-3-methyl-2-oxidanyl-butanamide Openeye Name: 2-(dimethylcarbamoylamino)-N-[4-[dimethylcarbamoyl-[1-isopropyl-2-oxo-3-(2-thienyl)propyl]amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butanamide CAS Name: 2-[[dimethylamino(oxo)methyl]amino]-N-[4-[[dimethylamino(oxo)methyl]-(4-methyl-2-oxo-1-thiophen-2-ylpentan-3-yl)amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide IUPAC Name: 2-(dimethylcarbamoylamino)-N-[4-[dimethylcarbamoyl-(4-methyl-2-oxo-1-thiophen-2-ylpentan-3-yl)amino]-1-phenylbutyl]-2-hydroxy-3-methylbutanamide Traditional Name: 2-(dimethylcarbamoylamino)-N-[4-[dimethylcarbamoyl-[1-isopropyl-2-keto-3-(2-thienyl)propyl]amino]-1-phenyl-butyl]-2-hydroxy-3-methyl-butyramide Formula: C31H47N5O5S MolecularWeight: 601.80038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC1=CC=CS1)N(CCCC(C2=CC=CC=C2)NC(=O)C(C(C)C)(NC(=O)N(C)C)O)C(=O)N(C)C

Isomeric SMILES

CC(C)C(C(=O)CC1=CC=CS1)N(CCCC(C2=CC=CC=C2)NC(=O)C(C(C)C)(NC(=O)N(C)C)O)C(=O)N(C)C

InChI

InChI=1S/C31H47N5O5S/c1-21(2)27(26(37)20-24-16-13-19-42-24)36(30(40)35(7)8)18-12-17-25(23-14-10-9-11-15-23)32-28(38)31(41,22(3)4)33-29(39)34(5)6/h9-11,13-16,19,21-22,25,27,41H,12,17-18,20H2,1-8H3,(H,32,38)(H,33,39)