2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-4-methyl-valeric acid Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C15H20BrNO3S/c1-9(2)6-12(15(19)20)17-14(18)8-21-13-5-4-11(16)7-10(13)3/h4-5,7,9,12H,6,8H2,1-3H3,(H,17,18)(H,19,20)