4-methylpiperazine-1-carboxamide; 4-methylsulfanyl-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]butanoic acid; hydrochloride

Systemtic Name: 4-methylpiperazine-1-carboxamide; 4-methylsulfanyl-2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]butanoic acid; hydrochloride Openeye Name: 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid; 4-methylpiperazine-1-carboxamide; hydrochloride CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid; 4-methyl-1-piperazinecarboxamide; hydrochloride IUPAC Name: 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid; 4-methylpiperazine-1-carboxamide; hydrochloride Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid; 4-methylpiperazine-1-carboxamide; hydrochloride Formula: C28H39ClN4O5S2 MolecularWeight: 611.21606

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)N.CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)N.CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C22H25NO4S2.C6H13N3O.ClH/c1-28-13-12-19(21(25)26)23-20(24)18(14-16-8-4-2-5-9-16)15-29-22(27)17-10-6-3-7-11-17;1-8-2-4-9(5-3-8)6(7)10;/h2-11,18-19H,12-15H2,1H3,(H,23,24)(H,25,26);2-5H2,1H3,(H2,7,10);1H