5-methyl-3-(methylcarbamoyl)-2-(2-methylpropylcarbamoyl)-2-(phenylmethylsulfanyl)hexanoic acid

Systemtic Name: 5-methyl-3-(methylcarbamoyl)-2-(2-methylpropylcarbamoyl)-2-(phenylmethylsulfanyl)hexanoic acid Openeye Name: 2-benzylsulfanyl-2-(isobutylcarbamoyl)-5-methyl-3-(methylcarbamoyl)hexanoic acid CAS Name: 5-methyl-3-(methylcarbamoyl)-2-[(2-methylpropylamino)-oxomethyl]-2-(phenylmethylthio)hexanoic acid IUPAC Name: 2-benzylsulfanyl-5-methyl-3-(methylcarbamoyl)-2-(2-methylpropylcarbamoyl)hexanoic acid Traditional Name: 2-(benzylthio)-2-(isobutylcarbamoyl)-5-methyl-3-(methylcarbamoyl)hexanoic acid Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC)C(C(=O)NCC(C)C)(C(=O)O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)NC)C(C(=O)NCC(C)C)(C(=O)O)SCC1=CC=CC=C1

InChI

InChI=1S/C21H32N2O4S/c1-14(2)11-17(18(24)22-5)21(20(26)27,19(25)23-12-15(3)4)28-13-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H,22,24)(H,23,25)(H,26,27)