copper (2S)-3-(1H-imidazol-5-yl)-2-[[(Z)-indol-3-ylidenemethyl]amino]propanoate

Systemtic Name: copper (2S)-3-(1H-imidazol-5-yl)-2-[[(Z)-indol-3-ylidenemethyl]amino]propanoate Openeye Name: copper (2S)-3-(1H-imidazol-5-yl)-2-[[(Z)-indol-3-ylidenemethyl]amino]propanoate CAS Name: copper (2S)-3-(1H-imidazol-5-yl)-2-[[(Z)-3-indolylidenemethyl]amino]propanoate IUPAC Name: copper (2S)-3-(1H-imidazol-5-yl)-2-[[(Z)-indol-3-ylidenemethyl]amino]propanoate Traditional Name: cupric (2S)-3-(1H-imidazol-5-yl)-2-[[(Z)-indol-3-ylidenemethyl]amino]propionate Formula: C30H26CuN8O4 MolecularWeight: 626.12464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC(CC3=CN=CN3)C(=O)[O-])C=N2.C1=CC=C2C(=C1)C(=CNC(CC3=CN=CN3)C(=O)[O-])C=N2.[Cu+2]

Isomeric SMILES

C1=CC=C2N=C/C(=C\N[C@H](C(=O)[O-])CC3=CN=CN3)/C2=C1.C1=CC=C2N=C/C(=C\N[C@H](C(=O)[O-])CC3=CN=CN3)/C2=C1.[Cu+2]

InChI

InChI=1S/2C15H14N4O2.Cu/c2*20-15(21)14(5-11-8-16-9-19-11)18-7-10-6-17-13-4-2-1-3-12(10)13;/h2*1-4,6-9,14,18H,5H2,(H,16,19)(H,20,21);/q;;+2/p-2/b2*10-7+;/t2*14-;/m00./s1