4-methylsulfanyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]butanoic acid Openeye Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]butanoic acid IUPAC Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-4-(methylthio)butyric acid Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3S/c1-24-12-7-15(16(21)22)18-17(23)20-10-8-19(9-11-20)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,18,23)(H,21,22)