copper 2-[[2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: copper 2-[[2-(2-azanylethanoylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: copper 2-[[2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: copper 2-[[2-[(2-amino-1-oxoethyl)amino]-3-(3-methyl-4-imidazolyl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: copper 2-[[2-[(2-aminoacetyl)amino]-3-(3-methylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoate Traditional Name: cupric 2-[[2-(glycylamino)-3-(3-methylimidazol-4-yl)propanoyl]amino]-3-phenyl-propionate Formula: C36H44CuN10O8 MolecularWeight: 808.34276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H23N5O4.Cu/c2*1-23-11-20-10-13(23)8-14(21-16(24)9-19)17(25)22-15(18(26)27)7-12-5-3-2-4-6-12;/h2*2-6,10-11,14-15H,7-9,19H2,1H3,(H,21,24)(H,22,25)(H,26,27);/q;;+2/p-2