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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO3S/c1-3-9-14(2,13(18)19)16-12(17)6-4-5-10-7-8-11(15)20-10/h7-8H,3-6,9H2,1-2H3,(H,16,17)(H,18,19)