(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide

C165H218N16O32S4 — CID 159301130

About (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide

(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide (PubChem CID 159301130) has the molecular formula C165H218N16O32S4 and a molecular weight of 3065.91 g/mol. Its IUPAC name is (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide.

Molecular Properties

• Compound Name: (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide
• PubChem CID: 159301130
• Molecular Formula: C165H218N16O32S4
• Molecular Weight: 3065.91 g/mol
• Exact Mass: 3063.48
• IUPAC Name: (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide
• SMILES: C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccccc1-c1ccc2cc1)C(=O)NS(=O)(=O)C1CC1.CO[C@@]12C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3C3CC3)N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cc(C)ccc1-c1ccc2cc1.CO[C@@]12C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3C3CC3)N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCc1ccccc1-c1ccc2cc1.CO[C@@]12C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3C3CC3)N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccccc1-c1ccc2cc1
• InChI: InChI=1S/C44H60N4O8S.C42H56N4O8S.C40H52N4O8S.C39H50N4O8S/c1-27-11-20-33-28-14-16-31(17-15-28)43(55-7)24-35(37(49)46-44(23-34(44)29-12-13-29)39(51)47-57(53,54)32-18-19-32)48(25-43)38(50)36(41(2,3)4)45-40(52)56-26-42(5,6)21-9-8-10-30(33)22-27;1-39(2,3)34-36(48)46-24-41(53-6,23-33(46)35(47)44-42(22-32(42)28-13-14-28)37(49)45-55(51,52)30-19-20-30)29-17-15-27(16-18-29)31-12-8-7-10-26(31)11-9-21-40(4,5)25-54-38(50)43-34;1-38(2,3)33-35(46)44-24-39(51-4,23-32(44)34(45)42-40(22-31(40)27-13-14-27)36(47)43-53(49,50)29-19-20-29)28-17-15-26(16-18-28)30-12-8-7-11-25(30)10-6-5-9-21-52-37(48)41-33;1-6-27-22-39(27,35(46)42-52(48,49)29-19-20-29)41-33(44)31-23-38(50-5)24-43(31)34(45)32(37(2,3)4)40-36(47)51-21-11-7-8-12-25-13-9-10-14-30(25)26-15-17-28(38)18-16-26/h11,14-17,20,22,29,32,34-36H,8-10,12-13,18-19,21,23-26H2,1-7H3,(H,45,52)(H,46,49)(H,47,51);7-8,10,12,15-18,28,30,32-34H,9,11,13-14,19-25H2,1-6H3,(H,43,50)(H,44,47)(H,45,49);7-8,11-12,15-18,27,29,31-33H,5-6,9-10,13-14,19-24H2,1-4H3,(H,41,48)(H,42,45)(H,43,47);6,9-10,13-18,27,29,31-32H,1,7-8,11-12,19-24H2,2-5H3,(H,40,47)(H,41,44)(H,42,46)/t34-,35-,36+,43-,44+;32-,33-,34+,41-,42+;31-,32-,33+,39-,40+;27-,31+,32-,38+,39-/m0001/s1
• InChIKey: LBISWBVQPHFAKQ-JCNMVIIDSA-N
• XLogP: 19.97
• TPSA: 640.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3065.91
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

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 (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide?

The IUPAC name of (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide (CID 159301130) is (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide.

What is the SMILES notation for (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide?

The canonical SMILES for (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide is C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@]2(OC)CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccccc1-c1ccc2cc1)C(=O)NS(=O)(=O)C1CC1.CO[C@@]12C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3C3CC3)N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cc(C)ccc1-c1ccc2cc1.CO[C@@]12C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3C3CC3)N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCc1ccccc1-c1ccc2cc1.CO[C@@]12C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4CC4)C[C@H]3C3CC3)N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCc1ccccc1-c1ccc2cc1.

What is the InChIKey of (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide?

The InChIKey is LBISWBVQPHFAKQ-JCNMVIIDSA-N. The full InChI is InChI=1S/C44H60N4O8S.C42H56N4O8S.C40H52N4O8S.C39H50N4O8S/c1-27-11-20-33-28-14-16-31(17-15-28)43(55-7)24-35(37(49)46-44(23-34(44)29-12-13-29)39(51)47-57(53,54)32-18-19-32)48(25-43)38(50)36(41(2,3)4)45-40(52)56-26-42(5,6)21-9-8-10-30(33)22-27;1-39(2,3)34-36(48)46-24-41(53-6,23-33(46)35(47)44-42(22-32(42)28-13-14-28)37(49)45-55(51,52)30-19-20-30)29-17-15-27(16-18-29)31-12-8-7-10-26(31)11-9-21-40(4,5)25-54-38(50)43-34;1-38(2,3)33-35(46)44-24-39(51-4,23-32(44)34(45)42-40(22-31(40)27-13-14-27)36(47)43-53(49,50)29-19-20-29)28-17-15-26(16-18-28)30-12-8-7-11-25(30)10-6-5-9-21-52-37(48)41-33;1-6-27-22-39(27,35(46)42-52(48,49)29-19-20-29)41-33(44)31-23-38(50-5)24-43(31)34(45)32(37(2,3)4)40-36(47)51-21-11-7-8-12-25-13-9-10-14-30(25)26-15-17-28(38)18-16-26/h11,14-17,20,22,29,32,34-36H,8-10,12-13,18-19,21,23-26H2,1-7H3,(H,45,52)(H,46,49)(H,47,51);7-8,10,12,15-18,28,30,32-34H,9,11,13-14,19-25H2,1-6H3,(H,43,50)(H,44,47)(H,45,49);7-8,11-12,15-18,27,29,31-33H,5-6,9-10,13-14,19-24H2,1-4H3,(H,41,48)(H,42,45)(H,43,47);6,9-10,13-18,27,29,31-32H,1,7-8,11-12,19-24H2,2-5H3,(H,40,47)(H,41,44)(H,42,46)/t34-,35-,36+,43-,44+;32-,33-,34+,41-,42+;31-,32-,33+,39-,40+;27-,31+,32-,38+,39-/m0001/s1.

What are the key properties of (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide?

(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide has a molecular weight of 3065.91 g/mol, XLogP of 19.97, 28 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12-dimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-12,12,19-trimethyl-6,9-dioxo-10-oxa-5,8-diazatetracyclo[21.2.2.12,5.017,22]octacosa-1(26),17(22),18,20,23(27),24-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[20.2.2.12,5.016,21]heptacosa-1(25),16,18,20,22(26),23-hexaene-4-carboxamide is sourced from PubChem (CID 159301130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).