(2S)-2-[(5-bromanylthiophen-2-yl)methylcarbamoylamino]-2-methyl-butanoic acid

Systemtic Name: (2S)-2-[(5-bromanylthiophen-2-yl)methylcarbamoylamino]-2-methyl-butanoic acid Openeye Name: (2S)-2-[(5-bromo-2-thienyl)methylcarbamoylamino]-2-methyl-butanoic acid CAS Name: (2S)-2-[[[(5-bromo-2-thiophenyl)methylamino]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: (2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methylbutanoic acid Traditional Name: (2S)-2-[(5-bromo-2-thienyl)methylcarbamoylamino]-2-methyl-butyric acid Formula: C11H15BrN2O3S MolecularWeight: 335.2174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)NC(=O)NCC1=CC=C(S1)Br

Isomeric SMILES

CC[C@@](C)(C(=O)O)NC(=O)NCC1=CC=C(S1)Br

InChI

InChI=1S/C11H15BrN2O3S/c1-3-11(2,9(15)16)14-10(17)13-6-7-4-5-8(12)18-7/h4-5H,3,6H2,1-2H3,(H,15,16)(H2,13,14,17)/t11-/m0/s1