57910749 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 30 8 8 8 8 7 7 6 6 6 6 1 1 1 1 1 1 1 1 1 2 6 -1 7 -1 1 1 1 1 2 2 3 3 4 5 6 6 7 7 8 8 8 9 9 9 2 3 6 7 10 14 11 15 10 11 8 12 9 13 10 16 17 11 18 19 6 6 6 6 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 3.3987 2.5896 4.2077 2.3109 4.4865 4.2077 2.5896 3.8987 2.8987 2.8987 3.8987 4.7973 2 2 4.7973 4.5051 3.8339 2.2922 2.9635 0 0.5878 -0.5878 2.3479 -2.3479 0.5878 -0.5878 1.5388 -1.5388 1.5388 -1.5388 0.3962 -0.3962 0.3962 -0.3962 1.6678 2.1554 -1.6678 -2.1554 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 105 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0633800000000020000000000000000000162C00000000000000000000000000000001E00100800000000C180040008004002000800009008000000000000000000808000000200000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;carboxymethylazanide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;carboxymethylazanide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;carboxymethylazanide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;carboxymethylazanide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;2-hydroxy-2-oxoethylazanide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 zinc;carboxymethylazanide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C2H4NO2.Zn/c2*3-1-2(4)5;/h2*3H,1H2,(H,4,5);/q2*-1;+2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BVZMMDCTSXKFRO-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 211.977549 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H8N2O4Zn Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 213.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)O)[NH-].C(C(=O)O)[NH-].[Zn+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(=O)O)[NH-].C(C(=O)O)[NH-].[Zn+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 211.977549 11 0 0 0 0 0 0 0 3 -1