1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid

C103H154N22O26S4 — CID 158193025

About 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid

1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid (PubChem CID 158193025) has the molecular formula C103H154N22O26S4 and a molecular weight of 2244.76 g/mol. Its IUPAC name is 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid
• PubChem CID: 158193025
• Molecular Formula: C103H154N22O26S4
• Molecular Weight: 2244.76 g/mol
• Exact Mass: 2243.03
• IUPAC Name: 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NCCOCCNC(=O)C(CCCNCCCN)NCCCN.CCCCOn1c(C(=O)NCCNC(=O)c2ccc(C(=O)N3CCSC3=S)c(=O)n2OCCCC)ccc(C(=O)N2CCSC2=S)c1=O.CCCCOn1c2ccc(c1=O)C(=O)NCCCNCCCC(C(=O)NCCOCCC)NCCCNC(=O)c1ccc(n(OCCCC)c1=O)C(=O)NCCNC2=O.O=C(O)c1cccc(=O)n1OCc1ccccc1
• InChI: InChI=1S/C40H63N9O10.C30H36N6O8S4.C20H44N6O4.C13H11NO4/c1-4-7-26-58-48-32-15-13-29(39(48)55)34(50)43-20-10-18-41-17-9-12-31(36(52)47-24-28-57-25-6-3)42-19-11-21-44-35(51)30-14-16-33(38(54)46-23-22-45-37(32)53)49(40(30)56)59-27-8-5-2;1-3-5-15-43-35-21(9-7-19(27(35)41)25(39)33-13-17-47-29(33)45)23(37)31-11-12-32-24(38)22-10-8-20(26(40)34-14-18-48-30(34)46)28(42)36(22)44-16-6-4-2;1-20(2,3)30-19(28)26-14-16-29-15-13-25-18(27)17(24-12-6-9-22)7-4-10-23-11-5-8-21;15-12-8-4-7-11(13(16)17)14(12)18-9-10-5-2-1-3-6-10/h13-16,31,41-42H,4-12,17-28H2,1-3H3,(H,43,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52);7-10H,3-6,11-18H2,1-2H3,(H,31,37)(H,32,38);17,23-24H,4-16,21-22H2,1-3H3,(H,25,27)(H,26,28);1-8H,9H2,(H,16,17)
• InChIKey: FZZOIXISGPTUQN-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 623.82 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 51
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2244.76
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?

The IUPAC name of 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid (CID 158193025) is 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid.

What is the SMILES notation for 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?

The canonical SMILES for 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid is CC(C)(C)OC(=O)NCCOCCNC(=O)C(CCCNCCCN)NCCCN.CCCCOn1c(C(=O)NCCNC(=O)c2ccc(C(=O)N3CCSC3=S)c(=O)n2OCCCC)ccc(C(=O)N2CCSC2=S)c1=O.CCCCOn1c2ccc(c1=O)C(=O)NCCCNCCCC(C(=O)NCCOCCC)NCCCNC(=O)c1ccc(n(OCCCC)c1=O)C(=O)NCCNC2=O.O=C(O)c1cccc(=O)n1OCc1ccccc1.

What is the InChIKey of 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?

The InChIKey is FZZOIXISGPTUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H63N9O10.C30H36N6O8S4.C20H44N6O4.C13H11NO4/c1-4-7-26-58-48-32-15-13-29(39(48)55)34(50)43-20-10-18-41-17-9-12-31(36(52)47-24-28-57-25-6-3)42-19-11-21-44-35(51)30-14-16-33(38(54)46-23-22-45-37(32)53)49(40(30)56)59-27-8-5-2;1-3-5-15-43-35-21(9-7-19(27(35)41)25(39)33-13-17-47-29(33)45)23(37)31-11-12-32-24(38)22-10-8-20(26(40)34-14-18-48-30(34)46)28(42)36(22)44-16-6-4-2;1-20(2,3)30-19(28)26-14-16-29-15-13-25-18(27)17(24-12-6-9-22)7-4-10-23-11-5-8-21;15-12-8-4-7-11(13(16)17)14(12)18-9-10-5-2-1-3-6-10/h13-16,31,41-42H,4-12,17-28H2,1-3H3,(H,43,50)(H,44,51)(H,45,53)(H,46,54)(H,47,52);7-10H,3-6,11-18H2,1-2H3,(H,31,37)(H,32,38);17,23-24H,4-16,21-22H2,1-3H3,(H,25,27)(H,26,28);1-8H,9H2,(H,16,17).

What are the key properties of 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid?

1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid has a molecular weight of 2244.76 g/mol, XLogP of 2.17, 51 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butoxy-N-[2-[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]ethyl]-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carboxamide;tert-butyl N-[2-[2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethoxy]ethyl]carbamate;9,30-dibutoxy-2,7,10,12,27,29-hexaoxo-N-(2-propoxyethyl)-3,6,9,13,17,22,26,30-octazatricyclo[26.2.2.28,11]tetratriaconta-1(31),8(34),11(33),28(32)-tetraene-18-carboxamide;6-oxo-1-phenylmethoxypyridine-2-carboxylic acid is sourced from PubChem (CID 158193025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).