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

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[4-[(4-oxidanylpyrrolidin-2-yl)methylamino]-2-phenyl-phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-2-[4-[(4-hydroxypyrrolidin-2-yl)methylamino]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[(4-hydroxy-2-pyrrolidinyl)methylamino]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[(4-hydroxypyrrolidin-2-yl)methylamino]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[(4-hydroxypyrrolidin-2-yl)methylamino]-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)NCC2CC(CN2)O)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)NCC2CC(CN2)O)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C23H29N3O4S/c1-31-10-9-23(24,22(29)30)21(28)19-8-7-16(25-13-17-11-18(27)14-26-17)12-20(19)15-5-3-2-4-6-15/h2-8,12,17-18,25-27H,9-11,13-14,24H2,1H3,(H,29,30)