2-azanyl-3-[3-(2-azanyl-4-methyl-pentanoyl)-2-ethanethioyl-4-(3-methylbutanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-4-methyl-pentanoyl)-2-ethanethioyl-4-(3-methylbutanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-2-ethanethioyl-4-(3-methylbutanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-amino-4-methyl-1-oxopentyl)-4-(3-methyl-1-oxobutyl)-2-(1-sulfanylideneethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-4-methylpentanoyl)-2-ethanethioyl-4-(3-methylbutanoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-4-isovaleryl-2-thioacetyl-phenyl]propionic acid Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C=CC(=C1C(=S)C)CC(C(=O)O)N)C(=O)CC(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C=CC(=C1C(=S)C)CC(C(=O)O)N)C(=O)CC(C)C)N

InChI

InChI=1S/C22H32N2O4S/c1-11(2)8-16(23)21(26)20-15(18(25)9-12(3)4)7-6-14(19(20)13(5)29)10-17(24)22(27)28/h6-7,11-12,16-17H,8-10,23-24H2,1-5H3,(H,27,28)