C142H183KN26O47S6 — CID 160617138
potassium;tert-butyl N-[2-[2-(2,3-diaminopropanoylamino)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[[3-[[1-methyl-2-oxo-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]-2-[[2-oxo-1-phenylmethoxy-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]propanoyl]amino]ethoxy]ethyl]carbamate;5-[[2-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-3-oxopropyl]carbamoyl]-1-methyl-6-oxopyridine-2-carboxylic acid;methane;6-methoxycarbonyl-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid;methyl 5-[[3-[(6-acetyl-1-methyl-2-oxopyridine-3-carbonyl)amino]-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-1-oxopropan-2-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylate;1,3-thiazolidine-2-thione;hydroxide (PubChem CID 160617138) has the molecular formula C142H183KN26O47S6 and a molecular weight of 3237.66 g/mol. Its IUPAC name is potassium;tert-butyl N-[2-[2-(2,3-diaminopropanoylamino)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[[3-[[1-methyl-2-oxo-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]-2-[[2-oxo-1-phenylmethoxy-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]propanoyl]amino]ethoxy]ethyl]carbamate;5-[[2-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-3-oxopropyl]carbamoyl]-1-methyl-6-oxopyridine-2-carboxylic acid;methane;6-methoxycarbonyl-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid;methyl 5-[[3-[(6-acetyl-1-methyl-2-oxopyridine-3-carbonyl)amino]-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-1-oxopropan-2-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylate;1,3-thiazolidine-2-thione;hydroxide.
| Compound Name | potassium;tert-butyl N-[2-[2-(2,3-diaminopropanoylamino)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[[3-[[1-methyl-2-oxo-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]-2-[[2-oxo-1-phenylmethoxy-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]propanoyl]amino]ethoxy]ethyl]carbamate;5-[[2-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-3-oxopropyl]carbamoyl]-1-methyl-6-oxopyridine-2-carboxylic acid;methane;6-methoxycarbonyl-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid;methyl 5-[[3-[(6-acetyl-1-methyl-2-oxopyridine-3-carbonyl)amino]-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-1-oxopropan-2-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylate;1,3-thiazolidine-2-thione;hydroxide |
|---|---|
| PubChem CID | 160617138 |
| Molecular Formula | C142H183KN26O47S6 |
| Molecular Weight | 3237.66 g/mol |
| Exact Mass | 3235.07 |
| IUPAC Name | potassium;tert-butyl N-[2-[2-(2,3-diaminopropanoylamino)ethoxy]ethyl]carbamate;tert-butyl N-[2-[2-[[3-[[1-methyl-2-oxo-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]-2-[[2-oxo-1-phenylmethoxy-6-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-3-carbonyl]amino]propanoyl]amino]ethoxy]ethyl]carbamate;5-[[2-[(6-carboxy-2-oxo-1-phenylmethoxypyridine-3-carbonyl)amino]-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-3-oxopropyl]carbamoyl]-1-methyl-6-oxopyridine-2-carboxylic acid;methane;6-methoxycarbonyl-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid;methyl 5-[[3-[(6-acetyl-1-methyl-2-oxopyridine-3-carbonyl)amino]-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-1-oxopropan-2-yl]carbamoyl]-6-oxo-1-phenylmethoxypyridine-2-carboxylate;1,3-thiazolidine-2-thione;hydroxide |
| SMILES | C.C.CC(C)(C)OC(=O)NCCOCCNC(=O)C(N)CN.COC(=O)c1ccc(C(=O)NC(CNC(=O)c2ccc(C(C)=O)n(C)c2=O)C(=O)NCCOCCNC(=O)OC(C)(C)C)c(=O)n1OCc1ccccc1.COC(=O)c1ccc(C(=O)O)c(=O)n1OCc1ccccc1.Cn1c(C(=O)N2CCSC2=S)ccc(C(=O)NCC(NC(=O)c2ccc(C(=O)N3CCSC3=S)n(OCc3ccccc3)c2=O)C(=O)NCCOCCNC(=O)OC(C)(C)C)c1=O.Cn1c(C(=O)O)ccc(C(=O)NCC(NC(=O)c2ccc(C(=O)O)n(OCc3ccccc3)c2=O)C(=O)NCCOCCNC(=O)OC(C)(C)C)c1=O.S=C1NCCS1.[K+].[OH-] |
| InChI | InChI=1S/C40H46N8O11S4.C36H44N6O12.C34H40N6O13.C15H13NO6.C12H26N4O4.C3H5NS2.2CH4.K.H2O/c1-40(2,3)59-37(56)42-15-19-57-18-14-41-32(51)27(22-43-30(49)25-10-12-28(45(4)33(25)52)35(54)46-16-20-62-38(46)60)44-31(50)26-11-13-29(36(55)47-17-21-63-39(47)61)48(34(26)53)58-23-24-8-6-5-7-9-24;1-22(43)27-14-12-24(32(47)41(27)5)29(44)39-20-26(31(46)37-16-18-52-19-17-38-35(50)54-36(2,3)4)40-30(45)25-13-15-28(34(49)51-6)42(33(25)48)53-21-23-10-8-7-9-11-23;1-34(2,3)53-33(50)36-15-17-51-16-14-35-28(43)23(18-37-26(41)21-10-12-24(31(46)47)39(4)29(21)44)38-27(42)22-11-13-25(32(48)49)40(30(22)45)52-19-20-8-6-5-7-9-20;1-21-15(20)12-8-7-11(14(18)19)13(17)16(12)22-9-10-5-3-2-4-6-10;1-12(2,3)20-11(18)16-5-7-19-6-4-15-10(17)9(14)8-13;5-3-4-1-2-6-3;;;;/h5-13,27H,14-23H2,1-4H3,(H,41,51)(H,42,56)(H,43,49)(H,44,50);7-15,26H,16-21H2,1-6H3,(H,37,46)(H,38,50)(H,39,44)(H,40,45);5-13,23H,14-19H2,1-4H3,(H,35,43)(H,36,50)(H,37,41)(H,38,42)(H,46,47)(H,48,49);2-8H,9H2,1H3,(H,18,19);9H,4-8,13-14H2,1-3H3,(H,15,17)(H,16,18);1-2H2,(H,4,5);2*1H4;;1H2/q;;;;;;;;+1;/p-1 |
| InChIKey | RGFWOLFNSDTYTQ-UHFFFAOYSA-M |
| XLogP | 0.02 |
| TPSA | 988.42 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3237.66 |
| LogP ≤ 5 | 0.02 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 59 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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