5-methyl-2-[methylcarbamoyl-[2-methyl-2-(phenylmethylsulfanyl)propyl]carbamoyl]hexanoic acid

Systemtic Name: 5-methyl-2-[methylcarbamoyl-[2-methyl-2-(phenylmethylsulfanyl)propyl]carbamoyl]hexanoic acid Openeye Name: 2-[(2-benzylsulfanyl-2-methyl-propyl)-(methylcarbamoyl)carbamoyl]-5-methyl-hexanoic acid CAS Name: 5-methyl-2-[[methylcarbamoyl-[2-methyl-2-(phenylmethylthio)propyl]amino]-oxomethyl]hexanoic acid IUPAC Name: 2-[(2-benzylsulfanyl-2-methylpropyl)-(methylcarbamoyl)carbamoyl]-5-methylhexanoic acid Traditional Name: 2-[[2-(benzylthio)-2-methyl-propyl]-(methylcarbamoyl)carbamoyl]-5-methyl-hexanoic acid Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(=O)N(CC(C)(C)SCC1=CC=CC=C1)C(=O)NC)C(=O)O

Isomeric SMILES

CC(C)CCC(C(=O)N(CC(C)(C)SCC1=CC=CC=C1)C(=O)NC)C(=O)O

InChI

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