copper (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: copper (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: copper (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid CAS Name: copper (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-3-(3-methyl-4-imidazolyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid IUPAC Name: copper (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid Traditional Name: cupric (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-(glycylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid Formula: C33H44CuN8O6+2 MolecularWeight: 712.29846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CC(C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)CN.[Cu+2]

Isomeric SMILES

CN1C=NC=C1C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)CN.[Cu+2]

InChI

InChI=1S/C33H44N8O6.Cu/c1-41-21-36-20-24(41)18-27(37-29(42)19-35)32(45)38-25(14-8-9-15-34)30(43)39-26(16-22-10-4-2-5-11-22)31(44)40-28(33(46)47)17-23-12-6-3-7-13-23;/h2-7,10-13,20-21,25-28H,8-9,14-19,34-35H2,1H3,(H,37,42)(H,38,45)(H,39,43)(H,40,44)(H,46,47);/q;+2/t25-,26-,27-,28-;/m0./s1