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

Systemtic Name: 5-azanyl-2-[4-(5-bromanylthiophen-2-yl)butanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[4-(5-bromo-2-thienyl)butanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[4-(5-bromothiophen-2-yl)butanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[4-(5-bromo-2-thienyl)butanoylamino]-5-keto-valeric acid Formula: C13H17BrN2O4S MolecularWeight: 377.25408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O4S/c14-10-6-4-8(21-10)2-1-3-12(18)16-9(13(19)20)5-7-11(15)17/h4,6,9H,1-3,5,7H2,(H2,15,17)(H,16,18)(H,19,20)