59690893 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 78 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 10 10 10 11 11 11 12 12 12 13 13 14 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 29 2 3 6 7 14 42 15 43 14 15 8 36 9 37 9 10 30 11 31 12 32 33 13 34 35 13 38 39 40 41 16 18 17 44 45 19 46 47 48 49 50 20 51 52 21 53 54 22 55 56 23 57 58 24 59 60 25 61 62 26 63 64 27 65 66 28 67 68 29 69 70 71 72 73 6 6 6 6 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 6 9 10 30 1 1 9 7 8 11 31 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 5.2619 6.0709 6.0709 7.089 5.0528 4.6783 4.6783 3.732 3.732 2.866 2.866 2 2 6.9844 5.9664 7.7935 8.707 6.7754 9.516 10.4296 11.2386 12.1521 12.9611 13.8747 14.6837 15.5973 16.4063 17.3198 18.1288 3.822 3.822 2.4675 3.2646 3.2646 2.4675 4.8709 4.8709 1.3894 1.788 1.788 1.3894 6.0061 6.6373 7.3475 8.1402 9.153 8.3603 7.1398 7.277 6.411 9.07 9.8627 10.8756 10.0829 10.7926 11.5853 12.5981 11.8054 12.5152 13.3078 14.3207 13.528 14.2377 15.0304 16.0432 15.2506 15.9603 16.753 17.7658 16.9731 17.7644 18.6304 18.4933 -0.1575 -0.7453 0.4303 0.656 1.8316 -0.9622 0.6472 -0.6575 0.3425 -1.1575 0.8425 -0.6575 0.3425 -0.3385 1.4248 -0.9263 -0.5196 2.0126 -1.1074 -0.7006 -1.2884 -0.8817 -1.4695 -1.0627 -1.6505 -1.2438 -1.8316 -1.4248 -2.0126 -1.5027 1.1877 -1.6324 -1.6324 1.3175 1.3175 -1.5515 1.2366 -0.5498 -1.2401 0.9251 0.2349 -1.3619 0.1781 -1.357 -1.4403 -0.0889 -0.0056 1.511 2.377 2.5142 -1.538 -1.6214 -0.2699 -0.1866 -1.7191 -1.8024 -0.451 -0.3677 -1.9002 -1.9835 -0.632 -0.5487 -2.0812 -2.1645 -0.8131 -0.7298 -2.2622 -2.3456 -0.9941 -0.9108 -2.5142 -2.377 -1.511 5 6 8 9 30 31 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 361 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 12 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07B3800000000000000000400000000000160000000300000000000000058000000001E00100800000828C1800402080040020008000090080000000000000000008100000000401200800000400004100000000198C8A08000000000000000000000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 acetic acid;[(1R,2R)-2-azanidylcyclohexyl]azanide;platinum(2+);tetradecanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 acetic acid;[(1R,2R)-2-azanidylcyclohexyl]azanide;platinum(2+);tetradecanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 acetic acid;[(1<I>R</I>,2<I>R</I>)-2-azanidylcyclohexyl]azanide;platinum(2+);tetradecanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 acetic acid;[(1R,2R)-2-azanidylcyclohexyl]azanide;platinum(2+);tetradecanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [(1R,2R)-2-azanidylcyclohexyl]azanide;ethanoic acid;platinum(2+);tetradecanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 acetic acid;[(1R,2R)-2-amidylcyclohexyl]azanide;myristic acid;platinum(2+) InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C14H28O2.C6H12N2.C2H4O2.Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;7-5-3-1-2-4-6(5)8;1-2(3)4;/h2-13H2,1H3,(H,15,16);5-8H,1-4H2;1H3,(H,3,4);/q;-2;;+2/t;5-,6-;;/m.1../s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KMVHXCGFBWMAJI-KNCYCSARSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 595.294902 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H44N2O4Pt Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 595.7 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCCCCCC(=O)O.CC(=O)O.C1CCC(C(C1)[NH-])[NH-].[Pt+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCCCCCC(=O)O.CC(=O)O.C1CC[C@H]([C@@H](C1)[NH-])[NH-].[Pt+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 76.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 595.294902 29 2 2 0 0 0 0 0 4 -1