2-[[2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2-bromophenyl)thio]-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(2-bromophenyl)sulfanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[(2-bromophenyl)thio]-3-(4-methoxyphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C22H26BrNO4S MolecularWeight: 480.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OC)SC2=CC=CC=C2Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)OC)SC2=CC=CC=C2Br

InChI

InChI=1S/C22H26BrNO4S/c1-14(2)12-18(22(26)27)24-21(25)20(29-19-7-5-4-6-17(19)23)13-15-8-10-16(28-3)11-9-15/h4-11,14,18,20H,12-13H2,1-3H3,(H,24,25)(H,26,27)