2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-methylpentanoic acid Traditional Name: 2-[4-(5-bromo-2-thienyl)butanoylamino]-4-methyl-valeric acid Formula: C14H20BrNO3S MolecularWeight: 362.2825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCCC1=CC=C(S1)Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)CCCC1=CC=C(S1)Br

InChI

InChI=1S/C14H20BrNO3S/c1-9(2)8-11(14(18)19)16-13(17)5-3-4-10-6-7-12(15)20-10/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17)(H,18,19)