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

Systemtic Name: 2-(2-methoxyethylcarbamoylamino)-N-[4-[2-methoxyethylcarbamoyl-(4-methyl-2-oxidanylidene-1-thiophen-2-yl-pentan-3-yl)amino]-1-phenyl-butyl]-3-methyl-2-oxidanyl-butanamide Openeye Name: 2-hydroxy-N-[4-[[1-isopropyl-2-oxo-3-(2-thienyl)propyl]-(2-methoxyethylcarbamoyl)amino]-1-phenyl-butyl]-2-(2-methoxyethylcarbamoylamino)-3-methyl-butanamide CAS Name: 2-hydroxy-2-[[(2-methoxyethylamino)-oxomethyl]amino]-N-[4-[[(2-methoxyethylamino)-oxomethyl]-(4-methyl-2-oxo-1-thiophen-2-ylpentan-3-yl)amino]-1-phenylbutyl]-3-methylbutanamide IUPAC Name: 2-hydroxy-2-(2-methoxyethylcarbamoylamino)-N-[4-[2-methoxyethylcarbamoyl-(4-methyl-2-oxo-1-thiophen-2-ylpentan-3-yl)amino]-1-phenylbutyl]-3-methylbutanamide Traditional Name: 2-hydroxy-N-[4-[[1-isopropyl-2-keto-3-(2-thienyl)propyl]-(2-methoxyethylcarbamoyl)amino]-1-phenyl-butyl]-2-(2-methoxyethylcarbamoylamino)-3-methyl-butyramide Formula: C33H51N5O7S MolecularWeight: 661.85234

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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)NCCOC)O)C(=O)NCCOC

Isomeric SMILES

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

InChI

InChI=1S/C33H51N5O7S/c1-23(2)29(28(39)22-26-14-11-21-46-26)38(32(42)35-17-20-45-6)18-10-15-27(25-12-8-7-9-13-25)36-30(40)33(43,24(3)4)37-31(41)34-16-19-44-5/h7-9,11-14,21,23-24,27,29,43H,10,15-20,22H2,1-6H3,(H,35,42)(H,36,40)(H2,34,37,41)