copper; (2S)-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid; ethanoic acid

Systemtic Name: copper; (2S)-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid; ethanoic acid Openeye Name: copper; acetic acid; (2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid CAS Name: copper; acetic acid; (2S)-6-amino-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: copper; acetic acid; (2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Traditional Name: cupric; acetic acid; (2S)-6-amino-2-[[(2S)-2-(glycylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid Formula: C32H56CuN12O12+2 MolecularWeight: 864.40624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)CN.C1=C(NC=N1)CC(C(=O)NC(CCCCN)C(=O)O)NC(=O)CN.[Cu+2]

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN.C1=C(NC=N1)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CN.[Cu+2]

InChI

InChI=1S/2C14H24N6O4.2C2H4O2.Cu/c2*15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;2*1-2(3)4;/h2*7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);2*1H3,(H,3,4);/q;;;;+2/t2*10-,11-;;;/m00.../s1