(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

C148H200FN13O26S3 — CID 158726338

About (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 158726338) has the molecular formula C148H200FN13O26S3 and a molecular weight of 2692.49 g/mol. Its IUPAC name is (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
• PubChem CID: 158726338
• Molecular Formula: C148H200FN13O26S3
• Molecular Weight: 2692.49 g/mol
• Exact Mass: 2690.39
• IUPAC Name: (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
• SMILES: C=C[C@@H]1CC1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)CC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3c(F)cccc3c1OC1CCN(C)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1.C=C[C@@H]1CC1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)CC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1CN1CCN(C)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CC3CCC(C1)N3CC)O2)C(=O)NS(=O)(=O)C1(C)CC1
• InChI: InChI=1S/C50H68N4O9S.C49H65FN4O9S.C49H67N5O8S/c1-7-31-27-50(31,47(58)52-64(59,60)49(6)20-21-49)28-41(55)40-25-35-29-54(40)46(57)38(48(3,4)5)26-43(56)63-42-22-30(42)14-10-9-11-16-37-44(36-15-12-13-17-39(36)51-45(37)62-35)61-34-23-32-18-19-33(24-34)53(32)8-2;1-4-32-27-49(32,47(58)52-64(59,60)48(2)20-21-48)28-40(55)39-25-34-29-54(39)46(57)37(30-12-7-5-8-13-30)26-42(56)63-41-24-31(41)14-9-6-10-15-36-44(61-33-18-22-53(3)23-19-33)35-16-11-17-38(50)43(35)51-45(36)62-34;1-4-34-28-49(34,47(58)51-63(59,60)48(2)19-20-48)29-42(55)41-26-35-30-54(41)46(57)38(32-13-7-5-8-14-32)27-44(56)62-43-25-33(43)15-9-6-10-17-37-39(31-53-23-21-52(3)22-24-53)36-16-11-12-18-40(36)50-45(37)61-35/h7,12-13,15,17,30-35,38,40,42H,1,8-11,14,16,18-29H2,2-6H3,(H,52,58);4,11,16-17,30-34,37,39,41H,1,5-10,12-15,18-29H2,2-3H3,(H,52,58);4,11-12,16,18,32-35,38,41,43H,1,5-10,13-15,17,19-31H2,2-3H3,(H,51,58)/t30-,31-,32?,33?,34?,35-,38-,40+,42-,50-;31-,32-,34-,37+,39+,41-,49?;33-,34-,35-,38+,41+,43-,49?/m111/s1
• InChIKey: IKNWCHZZZZYACF-VNTGJCHSSA-N
• XLogP: 20.32
• TPSA: 478.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2692.49
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?

The IUPAC name of (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide (CID 158726338) is (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?

The canonical SMILES for (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is C=C[C@@H]1CC1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)CC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3c(F)cccc3c1OC1CCN(C)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1.C=C[C@@H]1CC1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)CC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1CN1CCN(C)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1.C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)CC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CC3CCC(C1)N3CC)O2)C(=O)NS(=O)(=O)C1(C)CC1.

What is the InChIKey of (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?

The InChIKey is IKNWCHZZZZYACF-VNTGJCHSSA-N. The full InChI is InChI=1S/C50H68N4O9S.C49H65FN4O9S.C49H67N5O8S/c1-7-31-27-50(31,47(58)52-64(59,60)49(6)20-21-49)28-41(55)40-25-35-29-54(40)46(57)38(48(3,4)5)26-43(56)63-42-22-30(42)14-10-9-11-16-37-44(36-15-12-13-17-39(36)51-45(37)62-35)61-34-23-32-18-19-33(24-34)53(32)8-2;1-4-32-27-49(32,47(58)52-64(59,60)48(2)20-21-48)28-40(55)39-25-34-29-54(39)46(57)37(30-12-7-5-8-13-30)26-42(56)63-41-24-31(41)14-9-6-10-15-36-44(61-33-18-22-53(3)23-19-33)35-16-11-17-38(50)43(35)51-45(36)62-34;1-4-34-28-49(34,47(58)51-63(59,60)48(2)19-20-48)29-42(55)41-26-35-30-54(41)46(57)38(32-13-7-5-8-14-32)27-44(56)62-43-25-33(43)15-9-6-10-17-37-39(31-53-23-21-52(3)22-24-53)36-16-11-12-18-40(36)50-45(37)61-35/h7,12-13,15,17,30-35,38,40,42H,1,8-11,14,16,18-29H2,2-6H3,(H,52,58);4,11,16-17,30-34,37,39,41H,1,5-10,12-15,18-29H2,2-3H3,(H,52,58);4,11-12,16,18,32-35,38,41,43H,1,5-10,13-15,17,19-31H2,2-3H3,(H,51,58)/t30-,31-,32?,33?,34?,35-,38-,40+,42-,50-;31-,32-,34-,37+,39+,41-,49?;33-,34-,35-,38+,41+,43-,49?/m111/s1.

What are the key properties of (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide?

(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 2692.49 g/mol, XLogP of 20.32, 30 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-6-fluoro-11-(1-methylpiperidin-4-yl)oxy-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;(2S)-1-[2-[(1R,18R,20R,24S,27S)-24-cyclohexyl-11-[(4-methylpiperazin-1-yl)methyl]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2S)-1-[2-[(1R,18R,20R,24S,27S)-24-tert-butyl-11-[(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-22,25-dioxo-2,21-dioxa-4,26-diazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaen-27-yl]-2-oxoethyl]-2-ethenyl-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 158726338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).