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

Systemtic Name: 2-azanyl-3-[3-(2-azanyl-4-methyl-pentanoyl)-4-(3-methylbutanoyl)-2-sulfanyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-4-(3-methylbutanoyl)-2-sulfanyl-phenyl]propanoic acid CAS Name: 2-amino-3-[3-(2-amino-4-methyl-1-oxopentyl)-2-mercapto-4-(3-methyl-1-oxobutyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(2-amino-4-methylpentanoyl)-4-(3-methylbutanoyl)-2-sulfanylphenyl]propanoic acid Traditional Name: 2-amino-3-[3-(2-amino-4-methyl-pentanoyl)-4-isovaleryl-2-mercapto-phenyl]propionic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C=CC(=C1S)CC(C(=O)O)N)C(=O)CC(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C=CC(=C1S)CC(C(=O)O)N)C(=O)CC(C)C)N

InChI

InChI=1S/C20H30N2O4S/c1-10(2)7-14(21)18(24)17-13(16(23)8-11(3)4)6-5-12(19(17)27)9-15(22)20(25)26/h5-6,10-11,14-15,27H,7-9,21-22H2,1-4H3,(H,25,26)