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

Systemtic Name: 3-azanyl-4-methyl-2-[4-(4-methylsulfanylphenyl)butanoylamino]-2-oxidanyl-pentanoic acid Openeye Name: 3-amino-2-hydroxy-4-methyl-2-[4-(4-methylsulfanylphenyl)butanoylamino]pentanoic acid CAS Name: 3-amino-2-hydroxy-4-methyl-2-[[4-[4-(methylthio)phenyl]-1-oxobutyl]amino]pentanoic acid IUPAC Name: 3-amino-2-hydroxy-4-methyl-2-[4-(4-methylsulfanylphenyl)butanoylamino]pentanoic acid Traditional Name: 3-amino-2-hydroxy-4-methyl-2-[4-[4-(methylthio)phenyl]butanoylamino]valeric acid Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)O)(NC(=O)CCCC1=CC=C(C=C1)SC)O)N

Isomeric SMILES

CC(C)C(C(C(=O)O)(NC(=O)CCCC1=CC=C(C=C1)SC)O)N

InChI

InChI=1S/C17H26N2O4S/c1-11(2)15(18)17(23,16(21)22)19-14(20)6-4-5-12-7-9-13(24-3)10-8-12/h7-11,15,23H,4-6,18H2,1-3H3,(H,19,20)(H,21,22)