copper 2-[[2-(2-azanylpropanoylamino)-3-(5-methyl-1H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: copper 2-[[2-(2-azanylpropanoylamino)-3-(5-methyl-1H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: copper 2-[[2-(2-aminopropanoylamino)-3-(5-methyl-1H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propanoate CAS Name: copper 2-[[2-[(2-amino-1-oxopropyl)amino]-3-(5-methyl-1H-imidazol-4-yl)-1-oxopropyl]amino]-3-phenylpropanoate IUPAC Name: copper 2-[[2-(2-aminopropanoylamino)-3-(5-methyl-1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoate Traditional Name: cupric 2-[[2-(alanylamino)-3-(5-methyl-1H-imidazol-4-yl)propanoyl]amino]-3-phenyl-propionate Formula: C38H48CuN10O8 MolecularWeight: 836.39592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)C(C)N.CC1=C(N=CN1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)C(C)N.[Cu+2]

Isomeric SMILES

CC1=C(N=CN1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)C(C)N.CC1=C(N=CN1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])NC(=O)C(C)N.[Cu+2]

InChI

InChI=1S/2C19H25N5O4.Cu/c2*1-11(20)17(25)23-15(9-14-12(2)21-10-22-14)18(26)24-16(19(27)28)8-13-6-4-3-5-7-13;/h2*3-7,10-11,15-16H,8-9,20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28);/q;;+2/p-2