2-[2-(4-methoxyphenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)sulfanylethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(4-methoxyphenyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(4-methoxyphenyl)thio]acetyl]amino]-4-methyl-valeric acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CSC1=CC=C(C=C1)OC

InChI

InChI=1S/C15H21NO4S/c1-10(2)8-13(15(18)19)16-14(17)9-21-12-6-4-11(20-3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,16,17)(H,18,19)