bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate

C259H352Cl4N24O54S22 — CID 161306590

IUPACbis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate
SMILESCCCC(CCC)C(=O)CC(=O)OCCSSCCNC(=O)c1cccnc1.CCCC(CCC)C(=O)CC(=O)OCCSSCCOC(=O)c1cccnc1.CCCC(CCC)C(=O)OCCSSCCOC(=O)CC(=O)[C@H](CC)N1CCCC1=O.CCCC(CCC)C(=O)OCCSSCCOC(=O)CCC1(CCC)CCCCC1.CCCC(CCC)C(=O)OCCSSCCOC(=O)NC(=O)N1c2ccccc2C=Cc2ccccc21.CCCC1(CCC(=O)OCCSSCCNC(=O)c2cccnc2)CCCCC1.CCCC1(CCC(=O)OCCSSCCOC(=O)c2cccnc2)CCCCC1.O=C(CC(=O)N1c2ccccc2C=Cc2ccccc21)OCCSSCCNC(=O)c1cccnc1.O=C(CC(=O)N1c2ccccc2C=Cc2ccccc21)OCCSSCCOC(=O)c1cccnc1.O=C=O.O=C=O.O=C=O.[H]/N=C(\C(N)=N/C(=N/[H])NC(=O)OCCSSCCOC(=O)C(CCC)CCC)c1cccc(Cl)c1Cl.[H]/N=C(\C(N)=N/C(=N/[H])NC(=O)OCCSSCCOC(=O)C(CCC)CCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C28H34N2O5S2.C27H25N3O4S2.C27H24N2O5S2.C24H44O4S2.2C22H31Cl2N5O4S2.C22H34N2O3S2.C22H37NO6S2.C22H33NO4S2.C20H30N2O4S2.C20H29NO5S2.3CO2/c1-3-9-23(10-4-2)26(31)34-17-19-36-37-20-18-35-28(33)29-27(32)30-24-13-7-5-11-21(24)15-16-22-12-6-8-14-25(22)30;31-25(30-23-9-3-1-6-20(23)11-12-21-7-2-4-10-24(21)30)18-26(32)34-15-17-36-35-16-14-29-27(33)22-8-5-13-28-19-22;30-25(29-23-9-3-1-6-20(23)11-12-21-7-2-4-10-24(21)29)18-26(31)33-14-16-35-36-17-15-34-27(32)22-8-5-13-28-19-22;1-4-10-21(11-5-2)23(26)28-18-20-30-29-19-17-27-22(25)12-16-24(13-6-3)14-8-7-9-15-24;2*1-3-6-14(7-4-2)20(30)32-10-12-34-35-13-11-33-22(31)29-21(27)28-19(26)18(25)15-8-5-9-16(23)17(15)24;1-2-9-22(10-4-3-5-11-22)12-8-20(25)27-15-17-29-28-16-14-24-21(26)19-7-6-13-23-18-19;1-4-8-17(9-5-2)22(27)29-13-15-31-30-14-12-28-21(26)16-19(24)18(6-3)23-11-7-10-20(23)25;1-2-9-22(10-4-3-5-11-22)12-8-20(24)26-14-16-28-29-17-15-27-21(25)19-7-6-13-23-18-19;1-3-6-16(7-4-2)18(23)14-19(24)26-11-13-28-27-12-10-22-20(25)17-8-5-9-21-15-17;1-3-6-16(7-4-2)18(22)14-19(23)25-10-12-27-28-13-11-26-20(24)17-8-5-9-21-15-17;3*2-1-3/h5-8,11-16,23H,3-4,9-10,17-20H2,1-2H3,(H,29,32,33);1-13,19H,14-18H2,(H,29,33);1-13,19H,14-18H2;21H,4-20H2,1-3H3;2*5,8-9,14,25H,3-4,6-7,10-13H2,1-2H3,(H4,26,27,28,29,31);6-7,13,18H,2-5,8-12,14-17H2,1H3,(H,24,26);17-18H,4-16H2,1-3H3;6-7,13,18H,2-5,8-12,14-17H2,1H3;5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3,(H,22,25);5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3;;;/b;;;;2*25-18-;;;;;;;;/t;;;;;;;18-;;;;;;/m.......0....../s1
InChIKeyVIICXJHQSBWSNA-RSUREOLKSA-N
MW5513.07 g/mol
LogP57.41
Rot. Bonds150

About bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate

bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate (PubChem CID 161306590) has the molecular formula C259H352Cl4N24O54S22 and a molecular weight of 5513.07 g/mol. Its IUPAC name is bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate.

Molecular Properties

Compound Namebis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate
PubChem CID161306590
Molecular FormulaC259H352Cl4N24O54S22
Molecular Weight5513.07 g/mol
Exact Mass5505.81
IUPAC Namebis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate
SMILESCCCC(CCC)C(=O)CC(=O)OCCSSCCNC(=O)c1cccnc1.CCCC(CCC)C(=O)CC(=O)OCCSSCCOC(=O)c1cccnc1.CCCC(CCC)C(=O)OCCSSCCOC(=O)CC(=O)[C@H](CC)N1CCCC1=O.CCCC(CCC)C(=O)OCCSSCCOC(=O)CCC1(CCC)CCCCC1.CCCC(CCC)C(=O)OCCSSCCOC(=O)NC(=O)N1c2ccccc2C=Cc2ccccc21.CCCC1(CCC(=O)OCCSSCCNC(=O)c2cccnc2)CCCCC1.CCCC1(CCC(=O)OCCSSCCOC(=O)c2cccnc2)CCCCC1.O=C(CC(=O)N1c2ccccc2C=Cc2ccccc21)OCCSSCCNC(=O)c1cccnc1.O=C(CC(=O)N1c2ccccc2C=Cc2ccccc21)OCCSSCCOC(=O)c1cccnc1.O=C=O.O=C=O.O=C=O.[H]/N=C(\C(N)=N/C(=N/[H])NC(=O)OCCSSCCOC(=O)C(CCC)CCC)c1cccc(Cl)c1Cl.[H]/N=C(\C(N)=N/C(=N/[H])NC(=O)OCCSSCCOC(=O)C(CCC)CCC)c1cccc(Cl)c1Cl
InChIInChI=1S/C28H34N2O5S2.C27H25N3O4S2.C27H24N2O5S2.C24H44O4S2.2C22H31Cl2N5O4S2.C22H34N2O3S2.C22H37NO6S2.C22H33NO4S2.C20H30N2O4S2.C20H29NO5S2.3CO2/c1-3-9-23(10-4-2)26(31)34-17-19-36-37-20-18-35-28(33)29-27(32)30-24-13-7-5-11-21(24)15-16-22-12-6-8-14-25(22)30;31-25(30-23-9-3-1-6-20(23)11-12-21-7-2-4-10-24(21)30)18-26(32)34-15-17-36-35-16-14-29-27(33)22-8-5-13-28-19-22;30-25(29-23-9-3-1-6-20(23)11-12-21-7-2-4-10-24(21)29)18-26(31)33-14-16-35-36-17-15-34-27(32)22-8-5-13-28-19-22;1-4-10-21(11-5-2)23(26)28-18-20-30-29-19-17-27-22(25)12-16-24(13-6-3)14-8-7-9-15-24;2*1-3-6-14(7-4-2)20(30)32-10-12-34-35-13-11-33-22(31)29-21(27)28-19(26)18(25)15-8-5-9-16(23)17(15)24;1-2-9-22(10-4-3-5-11-22)12-8-20(25)27-15-17-29-28-16-14-24-21(26)19-7-6-13-23-18-19;1-4-8-17(9-5-2)22(27)29-13-15-31-30-14-12-28-21(26)16-19(24)18(6-3)23-11-7-10-20(23)25;1-2-9-22(10-4-3-5-11-22)12-8-20(24)26-14-16-28-29-17-15-27-21(25)19-7-6-13-23-18-19;1-3-6-16(7-4-2)18(23)14-19(24)26-11-13-28-27-12-10-22-20(25)17-8-5-9-21-15-17;1-3-6-16(7-4-2)18(22)14-19(23)25-10-12-27-28-13-11-26-20(24)17-8-5-9-21-15-17;3*2-1-3/h5-8,11-16,23H,3-4,9-10,17-20H2,1-2H3,(H,29,32,33);1-13,19H,14-18H2,(H,29,33);1-13,19H,14-18H2;21H,4-20H2,1-3H3;2*5,8-9,14,25H,3-4,6-7,10-13H2,1-2H3,(H4,26,27,28,29,31);6-7,13,18H,2-5,8-12,14-17H2,1H3,(H,24,26);17-18H,4-16H2,1-3H3;6-7,13,18H,2-5,8-12,14-17H2,1H3;5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3,(H,22,25);5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3;;;/b;;;;2*25-18-;;;;;;;;/t;;;;;;;18-;;;;;;/m.......0....../s1
InChIKeyVIICXJHQSBWSNA-RSUREOLKSA-N
XLogP57.41
TPSA1107.46 Ų
H-Bond Donors12
H-Bond Acceptors86
Rotatable Bonds150
Heavy Atoms363
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005513.07
LogP ≤ 557.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1086

Analyze bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate with MolForge

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Related Compounds

2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate
CID 152774382
2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl N-[N'-[2-(2,3-dichlorophenyl)-2-iminoethanimidoyl]carbamimidoyl]carbamate
CID 173476253
2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl N-[amino-[(E)-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]amino]methylidene]carbamate
CID 143197194
ethyl 2-[1-[[2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethoxycarbonylamino]methyl]cyclohexyl]acetate
CID 54588575
ethyl 2-[1-[[2-[2-[[(2S)-2-(2-oxopyrrolidin-1-yl)butanoyl]carbamoyloxy]ethyldisulfanyl]ethoxycarbonylamino]methyl]cyclohexyl]acetate
CID 58607757
carbon dioxide;2-[2-[3-(1-methylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate
CID 123473532
2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 5-amino-6-(2,3-dichlorophenyl)-3-imino-1,2,4-triazine-2-carboxylate
CID 54588644
2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl N-[5-amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]carbamate
CID 58607973
2-[1-[[2-[2-(4-oxo-5-propyloctanoyl)oxyethyldisulfanyl]ethoxycarbonylamino]methyl]cyclohexyl]acetic acid
CID 58607975
2-[2-[(5S,6S)-6-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxyethyldisulfanyl]ethyl (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate;2-[3-[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxypropyldisulfanyl]ethyl (5R,6R)-6-(3-amino-2-oxo-3-phenylpropyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;2-[3-[(2R,3S,5S)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxypropyldisulfanyl]ethyl (5R,6R)-6-(3-amino-2-oxo-3-phenylpropyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;2-[(4-oxo-5-propyloctyl)disulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 2-propylpentanoate
CID 157396783
4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide
CID 21340905
2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl nitrate
CID 11558535

Frequently Asked Questions

What is the IUPAC name of bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate?
The IUPAC name of bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate (CID 161306590) is bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate.
What is the SMILES notation for bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate?
The canonical SMILES for bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate is CCCC(CCC)C(=O)CC(=O)OCCSSCCNC(=O)c1cccnc1.CCCC(CCC)C(=O)CC(=O)OCCSSCCOC(=O)c1cccnc1.CCCC(CCC)C(=O)OCCSSCCOC(=O)CC(=O)[C@H](CC)N1CCCC1=O.CCCC(CCC)C(=O)OCCSSCCOC(=O)CCC1(CCC)CCCCC1.CCCC(CCC)C(=O)OCCSSCCOC(=O)NC(=O)N1c2ccccc2C=Cc2ccccc21.CCCC1(CCC(=O)OCCSSCCNC(=O)c2cccnc2)CCCCC1.CCCC1(CCC(=O)OCCSSCCOC(=O)c2cccnc2)CCCCC1.O=C(CC(=O)N1c2ccccc2C=Cc2ccccc21)OCCSSCCNC(=O)c1cccnc1.O=C(CC(=O)N1c2ccccc2C=Cc2ccccc21)OCCSSCCOC(=O)c1cccnc1.O=C=O.O=C=O.O=C=O.[H]/N=C(\C(N)=N/C(=N/[H])NC(=O)OCCSSCCOC(=O)C(CCC)CCC)c1cccc(Cl)c1Cl.[H]/N=C(\C(N)=N/C(=N/[H])NC(=O)OCCSSCCOC(=O)C(CCC)CCC)c1cccc(Cl)c1Cl.
What is the InChIKey of bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate?
The InChIKey is VIICXJHQSBWSNA-RSUREOLKSA-N. The full InChI is InChI=1S/C28H34N2O5S2.C27H25N3O4S2.C27H24N2O5S2.C24H44O4S2.2C22H31Cl2N5O4S2.C22H34N2O3S2.C22H37NO6S2.C22H33NO4S2.C20H30N2O4S2.C20H29NO5S2.3CO2/c1-3-9-23(10-4-2)26(31)34-17-19-36-37-20-18-35-28(33)29-27(32)30-24-13-7-5-11-21(24)15-16-22-12-6-8-14-25(22)30;31-25(30-23-9-3-1-6-20(23)11-12-21-7-2-4-10-24(21)30)18-26(32)34-15-17-36-35-16-14-29-27(33)22-8-5-13-28-19-22;30-25(29-23-9-3-1-6-20(23)11-12-21-7-2-4-10-24(21)29)18-26(31)33-14-16-35-36-17-15-34-27(32)22-8-5-13-28-19-22;1-4-10-21(11-5-2)23(26)28-18-20-30-29-19-17-27-22(25)12-16-24(13-6-3)14-8-7-9-15-24;2*1-3-6-14(7-4-2)20(30)32-10-12-34-35-13-11-33-22(31)29-21(27)28-19(26)18(25)15-8-5-9-16(23)17(15)24;1-2-9-22(10-4-3-5-11-22)12-8-20(25)27-15-17-29-28-16-14-24-21(26)19-7-6-13-23-18-19;1-4-8-17(9-5-2)22(27)29-13-15-31-30-14-12-28-21(26)16-19(24)18(6-3)23-11-7-10-20(23)25;1-2-9-22(10-4-3-5-11-22)12-8-20(24)26-14-16-28-29-17-15-27-21(25)19-7-6-13-23-18-19;1-3-6-16(7-4-2)18(23)14-19(24)26-11-13-28-27-12-10-22-20(25)17-8-5-9-21-15-17;1-3-6-16(7-4-2)18(22)14-19(23)25-10-12-27-28-13-11-26-20(24)17-8-5-9-21-15-17;3*2-1-3/h5-8,11-16,23H,3-4,9-10,17-20H2,1-2H3,(H,29,32,33);1-13,19H,14-18H2,(H,29,33);1-13,19H,14-18H2;21H,4-20H2,1-3H3;2*5,8-9,14,25H,3-4,6-7,10-13H2,1-2H3,(H4,26,27,28,29,31);6-7,13,18H,2-5,8-12,14-17H2,1H3,(H,24,26);17-18H,4-16H2,1-3H3;6-7,13,18H,2-5,8-12,14-17H2,1H3;5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3,(H,22,25);5,8-9,15-16H,3-4,6-7,10-14H2,1-2H3;;;/b;;;;2*25-18-;;;;;;;;/t;;;;;;;18-;;;;;;/m.......0....../s1.
What are the key properties of bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate?
bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate has a molecular weight of 5513.07 g/mol, XLogP of 57.41, 150 rotatable bonds, 12 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[2-[[N-[1-amino-2-(2,3-dichlorophenyl)-2-iminoethylidene]carbamimidoyl]carbamoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate);2-[2-(benzo[b][1]benzazepine-11-carbonylcarbamoyloxy)ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-benzo[b][1]benzazepin-11-yl-3-oxopropanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;tris(carbon dioxide);2-[2-[(4S)-3-oxo-4-(2-oxopyrrolidin-1-yl)hexanoyl]oxyethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-(3-oxo-4-propylheptanoyl)oxyethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl 2-propylpentanoate;2-[2-[3-(1-propylcyclohexyl)propanoyloxy]ethyldisulfanyl]ethyl pyridine-3-carboxylate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-benzo[b][1]benzazepin-11-yl-3-oxopropanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-oxo-4-propylheptanoate;2-[2-(pyridine-3-carbonylamino)ethyldisulfanyl]ethyl 3-(1-propylcyclohexyl)propanoate is sourced from PubChem (CID 161306590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).