2-[[2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-acetamido-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[[2-acetamido-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC(=O)C

InChI

InChI=1S/C22H33N3O5S/c1-14(2)12-18(24-20(27)17(10-11-31-4)23-15(3)26)21(28)25-19(22(29)30)13-16-8-6-5-7-9-16/h5-9,14,17-19H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,28)(H,29,30)