copper; (2S)-2-azanyl-4-methylsulfanyl-butanoate; methanolate; 1,10-phenanthroline

Systemtic Name: copper; (2S)-2-azanyl-4-methylsulfanyl-butanoate; methanolate; 1,10-phenanthroline Openeye Name: copper; (2S)-2-amino-4-methylsulfanyl-butanoate; methanolate; 1,10-phenanthroline CAS Name: copper; (2S)-2-amino-4-(methylthio)butanoate; methanolate; 1,10-phenanthroline IUPAC Name: copper; (2S)-2-amino-4-methylsulfanylbutanoate; methanolate; 1,10-phenanthroline Traditional Name: cupric; (2S)-2-amino-4-(methylthio)butyrate; methanolate; 1,10-phenanthroline Formula: C18H21CuN3O3S MolecularWeight: 422.98864

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Descriptors Computed from Structure

Canonical SMILES:

C[O-].CSCCC(C(=O)[O-])N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu+2]

Isomeric SMILES

C[O-].CSCC[C@@H](C(=O)[O-])N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu+2]

InChI

InChI=1S/C12H8N2.C5H11NO2S.CH3O.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-9-3-2-4(6)5(7)8;1-2;/h1-8H;4H,2-3,6H2,1H3,(H,7,8);1H3;/q;;-1;+2/p-1/t;4-;;/m.0../s1