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

Systemtic Name: (2S)-2-[(5-bromanylthiophen-2-yl)methylcarbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(5-bromo-2-thienyl)methylcarbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(5-bromo-2-thiophenyl)methylamino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(5-bromo-2-thienyl)methylcarbamoylamino]-4-methyl-valeric acid Formula: C12H17BrN2O3S MolecularWeight: 349.24398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2O3S/c1-7(2)5-9(11(16)17)15-12(18)14-6-8-3-4-10(13)19-8/h3-4,7,9H,5-6H2,1-2H3,(H,16,17)(H2,14,15,18)/t9-/m0/s1