3-[2-azanyl-3-(3-methylbutanoyl)-4-oxidanyl-phenyl]-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoic acid

Systemtic Name: 3-[2-azanyl-3-(3-methylbutanoyl)-4-oxidanyl-phenyl]-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoic acid Openeye Name: 3-[2-amino-4-hydroxy-3-(3-methylbutanoyl)phenyl]-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoic acid CAS Name: 3-[2-amino-4-hydroxy-3-(3-methyl-1-oxobutyl)phenyl]-2-[(2-mercapto-3-methyl-1-oxobutyl)amino]propanoic acid IUPAC Name: 3-[2-amino-4-hydroxy-3-(3-methylbutanoyl)phenyl]-2-[(3-methyl-2-sulfanylbutanoyl)amino]propanoic acid Traditional Name: 3-(2-amino-4-hydroxy-3-isovaleryl-phenyl)-2-[(2-mercapto-3-methyl-butanoyl)amino]propionic acid Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C=CC(=C1N)CC(C(=O)O)NC(=O)C(C(C)C)S)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C=CC(=C1N)CC(C(=O)O)NC(=O)C(C(C)C)S)O

InChI

InChI=1S/C19H28N2O5S/c1-9(2)7-14(23)15-13(22)6-5-11(16(15)20)8-12(19(25)26)21-18(24)17(27)10(3)4/h5-6,9-10,12,17,22,27H,7-8,20H2,1-4H3,(H,21,24)(H,25,26)