4-azanyl-2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[4-(5-bromo-2-thienyl)butanoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[4-(5-bromo-2-thienyl)butanoylamino]-4-keto-butyric acid Formula: C12H15BrN2O4S MolecularWeight: 363.2275

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)CCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H15BrN2O4S/c13-9-5-4-7(20-9)2-1-3-11(17)15-8(12(18)19)6-10(14)16/h4-5,8H,1-3,6H2,(H2,14,16)(H,15,17)(H,18,19)