2-azanyl-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[(4-methyl-1-piperazinyl)methyl]-2-phenylphenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[(4-methylpiperazin-1-yl)methyl]-2-phenylbenzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[(4-methylpiperazino)methyl]-2-phenyl-benzoyl]-4-(methylthio)butyric acid Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C(C=C2)C(=O)C(CCSC)(C(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C(C=C2)C(=O)C(CCSC)(C(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3S/c1-26-11-13-27(14-12-26)17-18-8-9-20(21(16-18)19-6-4-3-5-7-19)22(28)24(25,23(29)30)10-15-31-2/h3-9,16H,10-15,17,25H2,1-2H3,(H,29,30)