26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one

C134H118N30O20S6 — CID 159899978

IUPAC26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one
SMILESCOc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)N(C)CC1CCN(CC1)c1ccnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCN1CC=C(CC1)c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCN1CC=C(CC1)c1cnn3ccc-2nc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13
InChIInChI=1S/C29H29N5O4S.C28H21N5O4S.2C26H25N7O4S.C25H18N6O4S2/c1-33-18-19-9-12-34(13-10-19)27-8-11-30-25-7-6-20(15-24(25)27)22-16-26(28(38-2)31-17-22)32-39(36,37)23-5-3-4-21(14-23)29(33)35;1-37-28-25-13-21(15-30-28)18-8-9-24-23(12-18)26(32-16-31-24)19-5-2-4-17(10-19)14-29-27(34)20-6-3-7-22(11-20)38(35,36)33-25;1-37-26-23-14-19(15-28-26)22-7-11-33-24(30-22)21(16-29-33)17-5-9-32(10-6-17)12-8-27-25(34)18-3-2-4-20(13-18)38(35,36)31-23;1-37-26-22-14-19(15-29-26)21-5-6-24-28-16-23(33(24)30-21)17-7-10-32(11-8-17)12-9-27-25(34)18-3-2-4-20(13-18)38(35,36)31-22;1-35-24-20-7-16(12-28-24)21-8-19-22(29-13-30-25(19)36-21)17-5-14(9-26-11-17)10-27-23(32)15-3-2-4-18(6-15)37(33,34)31-20/h3-8,11,14-17,19,32H,9-10,12-13,18H2,1-2H3;2-13,15-16,33H,14H2,1H3,(H,29,34);2-5,7,11,13-16,31H,6,8-10,12H2,1H3,(H,27,34);2-7,13-16,31H,8-12H2,1H3,(H,27,34);2-9,11-13,31H,10H2,1H3,(H,27,32)
InChIKeyNVVDOBCPJNLWDC-UHFFFAOYSA-N
MW2661.01 g/mol
LogP17.55
Rot. Bonds5

About 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one

26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one (PubChem CID 159899978) has the molecular formula C134H118N30O20S6 and a molecular weight of 2661.01 g/mol. Its IUPAC name is 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one.

Molecular Properties

Compound Name26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one
PubChem CID159899978
Molecular FormulaC134H118N30O20S6
Molecular Weight2661.01 g/mol
Exact Mass2658.75
IUPAC Name26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one
SMILESCOc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)N(C)CC1CCN(CC1)c1ccnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCN1CC=C(CC1)c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCN1CC=C(CC1)c1cnn3ccc-2nc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13
InChIInChI=1S/C29H29N5O4S.C28H21N5O4S.2C26H25N7O4S.C25H18N6O4S2/c1-33-18-19-9-12-34(13-10-19)27-8-11-30-25-7-6-20(15-24(25)27)22-16-26(28(38-2)31-17-22)32-39(36,37)23-5-3-4-21(14-23)29(33)35;1-37-28-25-13-21(15-30-28)18-8-9-24-23(12-18)26(32-16-31-24)19-5-2-4-17(10-19)14-29-27(34)20-6-3-7-22(11-20)38(35,36)33-25;1-37-26-23-14-19(15-28-26)22-7-11-33-24(30-22)21(16-29-33)17-5-9-32(10-6-17)12-8-27-25(34)18-3-2-4-20(13-18)38(35,36)31-23;1-37-26-22-14-19(15-29-26)21-5-6-24-28-16-23(33(24)30-21)17-7-10-32(11-8-17)12-9-27-25(34)18-3-2-4-20(13-18)38(35,36)31-22;1-35-24-20-7-16(12-28-24)21-8-19-22(29-13-30-25(19)36-21)17-5-14(9-26-11-17)10-27-23(32)15-3-2-4-18(6-15)37(33,34)31-20/h3-8,11,14-17,19,32H,9-10,12-13,18H2,1-2H3;2-13,15-16,33H,14H2,1H3,(H,29,34);2-5,7,11,13-16,31H,6,8-10,12H2,1H3,(H,27,34);2-7,13-16,31H,8-12H2,1H3,(H,27,34);2-9,11-13,31H,10H2,1H3,(H,27,32)
InChIKeyNVVDOBCPJNLWDC-UHFFFAOYSA-N
XLogP17.55
TPSA625.60 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds5
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002661.01
LogP ≤ 517.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Analyze 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one with MolForge

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Launch Full Analysis

Related Compounds

10,12-difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;24-methoxy-21,21-dioxo-3,21lambda6-dithia-6,8,10,14,22,25-hexazapentacyclo[21.3.1.12,5.116,20.04,9]nonacosa-1(27),2(29),4,6,8,16(28),17,19,23,25-decaen-15-one;(14R)-26-methoxy-23,23-dioxo-13-oxa-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;25-methoxy-22,22-dioxo-30-oxa-3,22lambda6-dithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one;25-methoxy-31-methyl-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-dodecaen-16-one
CID 157569975
CID 158104185
CID 158104185
26-Methoxy-23,23-dioxo-3,23lambda6-dithia-6,8,12,13,16,24,27-heptazahexacyclo[23.3.1.12,5.110,13.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10(31),11,18(30),19,21,25,27-dodecaen-17-one;13-methoxy-16,16-dioxo-8,16lambda6-dithia-1,5,12,15,23-pentazahexacyclo[23.2.2.16,9.110,14.117,21.02,7]dotriaconta-2(7),3,5,9(32),10(31),11,13,17,19,21(30)-decaen-22-one;26-methoxy-23,23-dioxo-23lambda6,32-dithia-6,8,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,26,28-hexazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;13-methoxy-16,16-dioxo-16lambda6-thia-5,12,15,23-tetrazaheptacyclo[21.5.3.26,9.110,14.117,21.02,7.026,30]pentatriaconta-1(29),2(7),3,5,8,10(33),11,13,17,19,21(32),26(30),27,34-tetradecae
CID 158443037
26-Methoxy-23,23-dioxo-23lambda6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15lambda6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14lambda6-thia-2,7,15,25,27-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(27),9(31),10,12,16,18,20(30),21(29),22,24(2
CID 158541086
19-Fluoro-26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,12,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4(9),5,7,10,12,14(31),18,20,22(30),25,27-tridecaen-17-one;26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,12,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;26-methoxy-23,23-dioxo-7-propan-2-yl-3,23lambda6-dithia-6,8,12,13,24,27-hexazahexacyclo[23.3.1.12,5.110,13.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10(31),11,18(30),19,21,25,27-dodecaen-17-one;26-methoxy-23,23-dioxo-7-propan-2-yl-3,23lambda6-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
CID 158811028
CID 158826505
CID 158826505
CID 158953584
CID 158953584
25-Methoxy-22,22-dioxo-22lambda6,31-dithia-3,4,6,23,26-pentazahexacyclo[22.3.1.12,5.19,13.117,21.04,8]hentriaconta-1(28),2,5,7,9,11,13(30),17(29),18,20,24,26-dodecaen-16-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22(29),23,26-tridecaen-14-one;18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26-hexazahexacyclo[20.6.2.12,5.110,14.117,21.025,29]tritriaconta-1(29),2(33),3,10(32),11,13,17,19,21(31),22(30),23,25,27-tridecaen-9-one;18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26,28,29-octazahexacyclo[20.5.2.12,5.110,14.117,21.025,28]dotriaconta-1(27),2(32),3,10(31),11,13,17,19,21(30),22(29),23,25-dodecaen-9-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,26-pentazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,25(29),26-tridecae
CID 159614631
8,8-dioxo-8lambda6-thia-4,7,15,24,25,28-hexazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2,6(32),9,11,13(31),17(30),18,20,22(29),23,26-dodecaene-5,14-dione;18-fluoro-25-methoxy-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;(14S)-26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;(14R)-26-methoxy-23,23-dioxo-3,23lambda6-dithia-6,8,10,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2(32),4,6,8,18(30),19,21,25,27-decaen-17-one;26-methoxy-23,23-dioxo-23lambda6-thia-6,12,16,24,27-pentazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
CID 159721640
CID 159820763
CID 159820763
18-fluoro-25-methoxy-31-methyl-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17,19,21(29),24,26-dodecaen-16-one;27-methoxy-24,24-dioxo-3,24lambda6-dithia-6,8,12,17,25,28-hexazahexacyclo[24.3.1.12,5.119,23.04,9.010,15]dotriaconta-1(30),2(32),4,6,8,10(15),11,13,19(31),20,22,26,28-tridecaen-18-one;(13S)-25-methoxy-22,22-dioxo-3,22lambda6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;(13R)-25-methoxy-22,22-dioxo-3,22lambda6-dithia-6,8,10,15,23,26-hexazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,17(29),18,20,24,26-decaen-16-one;25-methoxy-12-methyl-22,22-dioxo-3,22lambda6,30-trithia-6,8,23,26-tetrazahexacyclo[22.3.1.12,5.110,13.117,21.04,9]hentriaconta-1(28),2(31),4,6,8,10,12,17(29),18,20,24,26-
CID 159850862
10,12-Difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one;22,22-dioxo-22lambda6,31-dithia-3,4,6,11,23,26-hexazahexacyclo[22.3.1.12,5.19,13.117,21.04,8]hentriaconta-1(27),2,5,7,9,11,13(30),17(29),18,20,24(28)-undecaene-16,25-dione;25-methoxy-22,22-dioxo-22lambda6,31-dithia-3,4,6,11,23,26-hexazahexacyclo[22.3.1.12,5.19,13.117,21.04,8]hentriaconta-1(28),2,5,7,9,11,13(30),17(29),18,20,24,26-dodecaen-16-one;17-methoxy-14,14-dioxo-14lambda6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one;5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,20,24-pentazapentacyclo[19.6.2.12,6.19,13.025,29]hentriaconta-1(28),2(31),3,5,9,11,13(30),21(29),22,24,26-undecaen-14-one
CID 160331994

Frequently Asked Questions

What is the IUPAC name of 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one?
The IUPAC name of 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one (CID 159899978) is 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one.
What is the SMILES notation for 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one?
The canonical SMILES for 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one is COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)N(C)CC1CCN(CC1)c1ccnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCN1CC=C(CC1)c1cnc3ccc-2nn13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCN1CC=C(CC1)c1cnn3ccc-2nc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ncnc3ccc-2cc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ncnc3sc-2cc13.
What is the InChIKey of 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one?
The InChIKey is NVVDOBCPJNLWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4S.C28H21N5O4S.2C26H25N7O4S.C25H18N6O4S2/c1-33-18-19-9-12-34(13-10-19)27-8-11-30-25-7-6-20(15-24(25)27)22-16-26(28(38-2)31-17-22)32-39(36,37)23-5-3-4-21(14-23)29(33)35;1-37-28-25-13-21(15-30-28)18-8-9-24-23(12-18)26(32-16-31-24)19-5-2-4-17(10-19)14-29-27(34)20-6-3-7-22(11-20)38(35,36)33-25;1-37-26-23-14-19(15-28-26)22-7-11-33-24(30-22)21(16-29-33)17-5-9-32(10-6-17)12-8-27-25(34)18-3-2-4-20(13-18)38(35,36)31-23;1-37-26-22-14-19(15-29-26)21-5-6-24-28-16-23(33(24)30-21)17-7-10-32(11-8-17)12-9-27-25(34)18-3-2-4-20(13-18)38(35,36)31-22;1-35-24-20-7-16(12-28-24)21-8-19-22(29-13-30-25(19)36-21)17-5-14(9-26-11-17)10-27-23(32)15-3-2-4-18(6-15)37(33,34)31-20/h3-8,11,14-17,19,32H,9-10,12-13,18H2,1-2H3;2-13,15-16,33H,14H2,1H3,(H,29,34);2-5,7,11,13-16,31H,6,8-10,12H2,1H3,(H,27,34);2-7,13-16,31H,8-12H2,1H3,(H,27,34);2-9,11-13,31H,10H2,1H3,(H,27,32).
What are the key properties of 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one?
26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one has a molecular weight of 2661.01 g/mol, XLogP of 17.55, 5 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 26-methoxy-23,23-dioxo-23λ6,32-dithia-6,8,12,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,25,26,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(28),2,10(31),11,13,17,19,21(30),22(29),23,26-undecaen-9-one;18-methoxy-15,15-dioxo-15λ6-thia-5,8,16,19,26,28,29-heptazahexacyclo[20.5.2.22,5.110,14.117,21.025,28]tritriaconta-1(27),2,10(31),11,13,17,19,21(30),22(29),23,25-undecaen-9-one;5-methoxy-8,8-dioxo-8λ6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one;17-methoxy-7-methyl-14,14-dioxo-14λ6-thia-2,7,15,18,25-pentazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(28),9(31),10,12,16,18,20(30),21(29),22,24,26-undecaen-8-one is sourced from PubChem (CID 159899978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).