3-azanyl-4-methyl-2-[4-(2-methylsulfanylphenyl)butanoylamino]-2-oxidanyl-pentanoic acid hydrobromide

Systemtic Name: 3-azanyl-4-methyl-2-[4-(2-methylsulfanylphenyl)butanoylamino]-2-oxidanyl-pentanoic acid hydrobromide Openeye Name: 3-amino-2-hydroxy-4-methyl-2-[4-(2-methylsulfanylphenyl)butanoylamino]pentanoic acid hydrobromide CAS Name: 3-amino-2-hydroxy-4-methyl-2-[[4-[2-(methylthio)phenyl]-1-oxobutyl]amino]pentanoic acid hydrobromide IUPAC Name: 3-amino-2-hydroxy-4-methyl-2-[4-(2-methylsulfanylphenyl)butanoylamino]pentanoic acid hydrobromide Traditional Name: 3-amino-2-hydroxy-4-methyl-2-[4-[2-(methylthio)phenyl]butanoylamino]valeric acid hydrobromide Formula: C17H27BrN2O4S MolecularWeight: 435.37628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)O)(NC(=O)CCCC1=CC=CC=C1SC)O)N.Br

Isomeric SMILES

CC(C)C(C(C(=O)O)(NC(=O)CCCC1=CC=CC=C1SC)O)N.Br

InChI

InChI=1S/C17H26N2O4S.BrH/c1-11(2)15(18)17(23,16(21)22)19-14(20)10-6-8-12-7-4-5-9-13(12)24-3;/h4-5,7,9,11,15,23H,6,8,10,18H2,1-3H3,(H,19,20)(H,21,22);1H