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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CN=CN1C)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N.CC(C(=O)NC(CC1=CN=CN1C)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N.[Cu+2]

Isomeric SMILES

CC(C(=O)NC(CC1=CN=CN1C)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N.CC(C(=O)NC(CC1=CN=CN1C)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-])N.[Cu+2]

InChI

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