copper (2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(5-methyl-1H-imidazol-4-yl)propanoate

Systemtic Name: copper (2S)-2-[[(2S)-2-azanylpropanoyl]amino]-3-(5-methyl-1H-imidazol-4-yl)propanoate Openeye Name: copper (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(5-methyl-1H-imidazol-4-yl)propanoate CAS Name: copper (2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-(5-methyl-1H-imidazol-4-yl)propanoate IUPAC Name: copper (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(5-methyl-1H-imidazol-4-yl)propanoate Traditional Name: cupric (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(5-methyl-1H-imidazol-4-yl)propionate Formula: C20H30CuN8O6 MolecularWeight: 542.0482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC(C(=O)[O-])NC(=O)C(C)N.CC1=C(N=CN1)CC(C(=O)[O-])NC(=O)C(C)N.[Cu+2]

Isomeric SMILES

CC1=C(N=CN1)C[C@@H](C(=O)[O-])NC(=O)[C@H](C)N.CC1=C(N=CN1)C[C@@H](C(=O)[O-])NC(=O)[C@H](C)N.[Cu+2]

InChI

InChI=1S/2C10H16N4O3.Cu/c2*1-5(11)9(15)14-8(10(16)17)3-7-6(2)12-4-13-7;/h2*4-5,8H,3,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17);/q;;+2/p-2/t2*5-,8-;/m00./s1