2-[[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H21BrN2O3S MolecularWeight: 377.29714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)C(=O)CNC(C(C)C)C(=O)O

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)C(=O)CNC(C(C)C)C(=O)O

InChI

InChI=1S/C14H21BrN2O3S/c1-4-17(8-10-5-6-11(15)21-10)12(18)7-16-13(9(2)3)14(19)20/h5-6,9,13,16H,4,7-8H2,1-3H3,(H,19,20)