5-azanyl-2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-4-keto-butanoyl]amino]-5-amino-5-keto-valeric acid Formula: C17H19BrN2O6S MolecularWeight: 459.31156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O6S/c1-9(21)27-13(16(24)10-2-4-11(18)5-3-10)8-15(23)20-12(17(25)26)6-7-14(19)22/h2-5,12-13H,6-8H2,1H3,(H2,19,22)(H,20,23)(H,25,26)