2-azanyl-4-methylsulfanyl-2-[4-(3-oxidanylpyrrolidin-1-yl)-2-phenyl-phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[4-(3-oxidanylpyrrolidin-1-yl)-2-phenyl-phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-2-[4-(3-hydroxypyrrolidin-1-yl)-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-(3-hydroxy-1-pyrrolidinyl)-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-(3-hydroxypyrrolidin-1-yl)-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-(3-hydroxypyrrolidino)-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)N2CCC(C2)O)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)N2CCC(C2)O)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C22H26N2O4S/c1-29-12-10-22(23,21(27)28)20(26)18-8-7-16(24-11-9-17(25)14-24)13-19(18)15-5-3-2-4-6-15/h2-8,13,17,25H,9-12,14,23H2,1H3,(H,27,28)