8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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

C127H104FN27O20S9 — CID 159721640

About 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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

8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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 (PubChem CID 159721640) has the molecular formula C127H104FN27O20S9 and a molecular weight of 2636.00 g/mol. Its IUPAC name is 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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.

Molecular Properties

• Compound Name: 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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
• PubChem CID: 159721640
• Molecular Formula: C127H104FN27O20S9
• Molecular Weight: 2636.00 g/mol
• Exact Mass: 2633.54
• IUPAC Name: 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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
• SMILES: COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)CCc1ccc(s1)-c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3c1C=C2C3.O=C1NCc2cccc(c2)-c2cnn3ccc(nc23)-c2c[nH]c(=O)c(c2)NS(=O)(=O)c2cccc1c2
• InChI: InChI=1S/C27H21N5O4S.C25H17FN4O4S3.2C25H24N6O4S2.C25H18N6O4S/c1-36-27-25-11-19(15-31-27)18-9-23-22(5-6-29-24(23)10-18)20-7-16(12-28-14-20)13-30-26(33)17-3-2-4-21(8-17)37(34,35)32-25;1-34-25-19-8-13(11-27-25)22-10-18-24(36-22)23(29-12-28-18)21-7-3-14(35-21)2-6-20(31)16-9-15(4-5-17(16)26)37(32,33)30-19;2*1-35-25-20-9-17(12-27-25)21-10-19-22(36-21)23(29-14-28-19)31-7-3-4-15(13-31)11-26-24(32)16-5-2-6-18(8-16)37(33,34)30-20;32-24-17-5-2-6-19(10-17)36(34,35)30-22-11-18(13-27-25(22)33)21-7-8-31-23(29-21)20(14-28-31)16-4-1-3-15(9-16)12-26-24/h2-9,11-12,14-15,32H,10,13H2,1H3,(H,30,33);3-5,7-12,30H,2,6H2,1H3;2*2,5-6,8-10,12,14-15,30H,3-4,7,11,13H2,1H3,(H,26,32);1-11,13-14,30H,12H2,(H,26,32)(H,27,33)/t;;2*15-;/m..10./s1
• InChIKey: NACPNMXSBVGPDG-LQVFFGIHSA-N
• XLogP: 19.09
• TPSA: 625.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 41
• Rotatable Bonds: 4
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2636.00
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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?

The IUPAC name of 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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) is 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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.

What is the SMILES notation for 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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?

The canonical SMILES for 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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 is COc1ncc2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)CCc1ccc(s1)-c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]1CCCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCCN(C1)c1ncnc3cc-2sc13.COc1ncc2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1ccnc3c1C=C2C3.O=C1NCc2cccc(c2)-c2cnn3ccc(nc23)-c2c[nH]c(=O)c(c2)NS(=O)(=O)c2cccc1c2.

What is the InChIKey of 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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?

The InChIKey is NACPNMXSBVGPDG-LQVFFGIHSA-N. The full InChI is InChI=1S/C27H21N5O4S.C25H17FN4O4S3.2C25H24N6O4S2.C25H18N6O4S/c1-36-27-25-11-19(15-31-27)18-9-23-22(5-6-29-24(23)10-18)20-7-16(12-28-14-20)13-30-26(33)17-3-2-4-21(8-17)37(34,35)32-25;1-34-25-19-8-13(11-27-25)22-10-18-24(36-22)23(29-12-28-18)21-7-3-14(35-21)2-6-20(31)16-9-15(4-5-17(16)26)37(32,33)30-19;2*1-35-25-20-9-17(12-27-25)21-10-19-22(36-21)23(29-14-28-19)31-7-3-4-15(13-31)11-26-24(32)16-5-2-6-18(8-16)37(33,34)30-20;32-24-17-5-2-6-19(10-17)36(34,35)30-22-11-18(13-27-25(22)33)21-7-8-31-23(29-21)20(14-28-31)16-4-1-3-15(9-16)12-26-24/h2-9,11-12,14-15,32H,10,13H2,1H3,(H,30,33);3-5,7-12,30H,2,6H2,1H3;2*2,5-6,8-10,12,14-15,30H,3-4,7,11,13H2,1H3,(H,26,32);1-11,13-14,30H,12H2,(H,26,32)(H,27,33)/t;;2*15-;/m..10./s1.

What are the key properties of 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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?

8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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 has a molecular weight of 2636.00 g/mol, XLogP of 19.09, 4 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8-dioxo-8λ6-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-3,22λ6,30-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-3,23λ6-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-3,23λ6-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-23λ6-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 is sourced from PubChem (CID 159721640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).