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

Systemtic Name: 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(acetylsulfanylmethyl)-4-phenylbutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(acetylthio)methyl]-4-phenyl-butanoyl]amino]-4-methyl-valeric acid Formula: C19H27NO4S MolecularWeight: 365.48698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-13(2)11-17(19(23)24)20-18(22)16(12-25-14(3)21)10-9-15-7-5-4-6-8-15/h4-8,13,16-17H,9-12H2,1-3H3,(H,20,22)(H,23,24)