copper (2S)-2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoate

Systemtic Name: copper (2S)-2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoate Openeye Name: copper (2S)-2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoate CAS Name: copper (2S)-2-[(2-amino-1-oxoethyl)amino]-3-(3-methyl-4-imidazolyl)propanoate IUPAC Name: copper (2S)-2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoate Traditional Name: cupric (2S)-2-(glycylamino)-3-(3-methylimidazol-4-yl)propionate Formula: C18H26CuN8O6 MolecularWeight: 513.99504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)[O-])NC(=O)CN.CN1C=NC=C1CC(C(=O)[O-])NC(=O)CN.[Cu+2]

Isomeric SMILES

CN1C=NC=C1C[C@@H](C(=O)[O-])NC(=O)CN.CN1C=NC=C1C[C@@H](C(=O)[O-])NC(=O)CN.[Cu+2]

InChI

InChI=1S/2C9H14N4O3.Cu/c2*1-13-5-11-4-6(13)2-7(9(15)16)12-8(14)3-10;/h2*4-5,7H,2-3,10H2,1H3,(H,12,14)(H,15,16);/q;;+2/p-2/t2*7-;/m00./s1