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

Systemtic Name: 3-[[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]propanoic acid Openeye Name: 3-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl]amino]propanoic acid CAS Name: 3-[[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-2-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]amino]propanoic acid Traditional Name: 3-[[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl]amino]propionic acid Formula: C12H17BrN2O3S MolecularWeight: 349.24398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O3S/c1-2-15(8-9-3-4-10(13)19-9)11(16)7-14-6-5-12(17)18/h3-4,14H,2,5-8H2,1H3,(H,17,18)