C53H102N15O23Pt-3 — CID 160824160
(2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum (PubChem CID 160824160) has the molecular formula C53H102N15O23Pt-3 and a molecular weight of 1512.56 g/mol. Its IUPAC name is (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum.
| Compound Name | (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum |
|---|---|
| PubChem CID | 160824160 |
| Molecular Formula | C53H102N15O23Pt-3 |
| Molecular Weight | 1512.56 g/mol |
| Exact Mass | 1511.69 |
| IUPAC Name | (2-azanidylcyclohexyl)azanide;1,2-dicarboxyethyl-[2-[[2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoyl]amino]acetyl]azanide;(2,5-dioxopyrrolidin-1-yl) 2-(ethoxycarbonylamino)-6-(methoxycarbonylamino)hexanoate;hydrazine;methanamine;methane;methyl N-[5-(ethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate;platinum |
| SMILES | C.C.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NC.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)NCC(=O)[N-]C(CC(=O)O)C(=O)O.CCOC(=O)NC(CCCCNC(=O)OC)C(=O)ON1C(=O)CCC1=O.CN.NN.[NH-]C1CCCCC1[NH-].[Pt] |
| InChI | InChI=1S/C17H28N4O10.C15H23N3O8.C12H23N3O5.C6H12N2.CH5N.2CH4.H4N2.Pt/c1-3-31-17(29)21-10(6-4-5-7-18-16(28)30-2)14(25)19-9-12(22)20-11(15(26)27)8-13(23)24;1-3-25-15(23)17-10(6-4-5-9-16-14(22)24-2)13(21)26-18-11(19)7-8-12(18)20;1-4-20-12(18)15-9(10(16)13-2)7-5-6-8-14-11(17)19-3;7-5-3-1-2-4-6(5)8;1-2;;;1-2;/h10-11H,3-9H2,1-2H3,(H6,18,19,20,21,22,23,24,25,26,27,28,29);10H,3-9H2,1-2H3,(H,16,22)(H,17,23);9H,4-8H2,1-3H3,(H,13,16)(H,14,17)(H,15,18);5-8H,1-4H2;2H2,1H3;2*1H4;1-2H2;/q;;;-2;;;;;/p-1 |
| InChIKey | KRZBKJMPCDNDDY-UHFFFAOYSA-M |
| XLogP | 2.25 |
| TPSA | 583.29 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 92 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1512.56 |
| LogP ≤ 5 | 2.25 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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