15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid

C143H155N7O21S — CID 158014748

About 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid

15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid (PubChem CID 158014748) has the molecular formula C143H155N7O21S and a molecular weight of 2339.91 g/mol. Its IUPAC name is 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid.

Molecular Properties

• Compound Name: 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid
• PubChem CID: 158014748
• Molecular Formula: C143H155N7O21S
• Molecular Weight: 2339.91 g/mol
• Exact Mass: 2338.10
• IUPAC Name: 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid
• SMILES: CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)N2CCOCC2)CC1c1cc(OCc2ccccc2)ccc1-3.COC(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n1C2.COC(=O)C12CC1c1cc(OCc3ccccc3)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C2.COC(=O)C12CC1c1cc(OCc3ccccc3)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n1C2
• InChI: InChI=1S/C39H44N4O6S.C38H41NO5.C34H33NO5.C32H37NO5/c1-41(2)50(46,47)40-37(44)28-13-15-31-34(21-28)43-25-39(38(45)42-17-19-48-20-18-42)23-33(39)32-22-29(49-24-26-9-5-3-6-10-26)14-16-30(32)36(43)35(31)27-11-7-4-8-12-27;1-37(2,3)44-35(40)26-15-17-29-32(19-26)39-23-38(36(41)42-4)21-31(38)30-20-27(43-22-24-11-7-5-8-12-24)16-18-28(30)34(39)33(29)25-13-9-6-10-14-25;1-39-33(38)34-18-28(34)27-17-24(40-19-21-8-4-2-5-9-21)13-15-25(27)31-30(22-10-6-3-7-11-22)26-14-12-23(32(36)37)16-29(26)35(31)20-34;1-31(2,3)38-29(34)20-11-13-23-26(15-20)33-18-32(30(35)37-5)17-25(32)24-16-21(36-4)12-14-22(24)28(33)27(23)19-9-7-6-8-10-19/h3,5-6,9-10,13-16,21-22,27,33H,4,7-8,11-12,17-20,23-25H2,1-2H3,(H,40,44);5,7-8,11-12,15-20,25,31H,6,9-10,13-14,21-23H2,1-4H3;2,4-5,8-9,12-17,22,28H,3,6-7,10-11,18-20H2,1H3,(H,36,37);11-16,19,25H,6-10,17-18H2,1-5H3
• InChIKey: FFHYAZVAUWWXMT-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 321.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2339.91
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid?

The IUPAC name of 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid (CID 158014748) is 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid.

What is the SMILES notation for 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid?

The canonical SMILES for 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid is CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)N2CCOCC2)CC1c1cc(OCc2ccccc2)ccc1-3.COC(=O)C12CC1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n1C2.COC(=O)C12CC1c1cc(OCc3ccccc3)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)O)cc3n1C2.COC(=O)C12CC1c1cc(OCc3ccccc3)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n1C2.

What is the InChIKey of 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid?

The InChIKey is FFHYAZVAUWWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N4O6S.C38H41NO5.C34H33NO5.C32H37NO5/c1-41(2)50(46,47)40-37(44)28-13-15-31-34(21-28)43-25-39(38(45)42-17-19-48-20-18-42)23-33(39)32-22-29(49-24-26-9-5-3-6-10-26)14-16-30(32)36(43)35(31)27-11-7-4-8-12-27;1-37(2,3)44-35(40)26-15-17-29-32(19-26)39-23-38(36(41)42-4)21-31(38)30-20-27(43-22-24-11-7-5-8-12-24)16-18-28(30)34(39)33(29)25-13-9-6-10-14-25;1-39-33(38)34-18-28(34)27-17-24(40-19-21-8-4-2-5-9-21)13-15-25(27)31-30(22-10-6-3-7-11-22)26-14-12-23(32(36)37)16-29(26)35(31)20-34;1-31(2,3)38-29(34)20-11-13-23-26(15-20)33-18-32(30(35)37-5)17-25(32)24-16-21(36-4)12-14-22(24)28(33)27(23)19-9-7-6-8-10-19/h3,5-6,9-10,13-16,21-22,27,33H,4,7-8,11-12,17-20,23-25H2,1-2H3,(H,40,44);5,7-8,11-12,15-20,25,31H,6,9-10,13-14,21-23H2,1-4H3;2,4-5,8-9,12-17,22,28H,3,6-7,10-11,18-20H2,1H3,(H,36,37);11-16,19,25H,6-10,17-18H2,1-5H3.

What are the key properties of 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid?

15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid has a molecular weight of 2339.91 g/mol, XLogP of 28.64, 24 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;15-O-tert-butyl 10-O-methyl 19-cyclohexyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-10,15-dicarboxylate;19-cyclohexyl-N-(dimethylsulfamoyl)-10-(morpholine-4-carbonyl)-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide;19-cyclohexyl-10-methoxycarbonyl-5-phenylmethoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxylic acid is sourced from PubChem (CID 158014748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).