2-[(2-ethanoylsulfanyl-4-phenyl-butanoyl)amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(2-ethanoylsulfanyl-4-phenyl-butanoyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-acetylsulfanyl-4-phenyl-butanoyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(acetylthio)-1-oxo-4-phenylbutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(2-acetylsulfanyl-4-phenylbutanoyl)amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(acetylthio)-4-phenyl-butanoyl]amino]-4-methyl-valeric acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C18H25NO4S/c1-12(2)11-15(18(22)23)19-17(21)16(24-13(3)20)10-9-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,19,21)(H,22,23)