(2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide

C165H217ClN16O32S4 — CID 159802511

About (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide

(2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide (PubChem CID 159802511) has the molecular formula C165H217ClN16O32S4 and a molecular weight of 3100.35 g/mol. Its IUPAC name is (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide.

Molecular Properties

• Compound Name: (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide
• PubChem CID: 159802511
• Molecular Formula: C165H217ClN16O32S4
• Molecular Weight: 3100.35 g/mol
• Exact Mass: 3097.44
• IUPAC Name: (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-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)OCC(C)(C)CCCc1ccccc1-c1ccc2cc1)C(=O)NS(=O)(=O)C1CC1.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)OCCCCCCCc1ccccc1-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)OCCCCCCCc1ccccc1-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)OCCCCCCc1ccc(Cl)cc1-c1ccc2cc1
• InChI: InChI=1S/C42H56N4O8S.C41H53ClN4O8S.2C41H54N4O8S/c1-40(2,3)35-37(48)46-26-41(53-4,25-34(46)36(47)44-42(24-33(42)29-15-16-29)38(49)45-55(51,52)31-21-22-31)30-19-17-28(18-20-30)32-14-10-9-13-27(32)12-8-6-5-7-11-23-54-39(50)43-35;1-39(2,3)34-36(48)46-24-40(53-4,23-33(46)35(47)44-41(22-32(41)27-10-11-27)37(49)45-55(51,52)30-18-19-30)28-15-12-26(13-16-28)31-21-29(42)17-14-25(31)9-7-5-6-8-20-54-38(50)43-34;1-8-28-22-41(28,36(48)44-54(50,51)30-19-20-30)43-34(46)32-23-40(52-7)24-45(32)35(47)33(38(2,3)4)42-37(49)53-25-39(5,6)21-11-13-26-12-9-10-14-31(26)27-15-17-29(40)18-16-27;1-6-29-24-41(29,37(48)44-54(50,51)31-21-22-31)43-35(46)33-25-40(52-5)26-45(33)36(47)34(39(2,3)4)42-38(49)53-23-13-9-7-8-10-14-27-15-11-12-16-32(27)28-17-19-30(40)20-18-28/h9-10,13-14,17-20,29,31,33-35H,5-8,11-12,15-16,21-26H2,1-4H3,(H,43,50)(H,44,47)(H,45,49);12-17,21,27,30,32-34H,5-11,18-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49);8-10,12,14-18,28,30,32-33H,1,11,13,19-25H2,2-7H3,(H,42,49)(H,43,46)(H,44,48);6,11-12,15-20,29,31,33-34H,1,7-10,13-14,21-26H2,2-5H3,(H,42,49)(H,43,46)(H,44,48)/t33-,34-,35+,41-,42+;32-,33-,34+,40-,41+;28-,32+,33-,40+,41-;29-,33+,34-,40+,41-/m0011/s1
• InChIKey: NJYXJVRIZXACAS-HYJIRZCVSA-N
• XLogP: 21.02
• TPSA: 640.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3100.35
LogP ≤ 5	21.02
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-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide?

The IUPAC name of (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide (CID 159802511) is (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide.

What is the SMILES notation for (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide?

The canonical SMILES for (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-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)OCC(C)(C)CCCc1ccccc1-c1ccc2cc1)C(=O)NS(=O)(=O)C1CC1.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)OCCCCCCCc1ccccc1-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)OCCCCCCCc1ccccc1-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)OCCCCCCc1ccc(Cl)cc1-c1ccc2cc1.

What is the InChIKey of (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide?

The InChIKey is NJYXJVRIZXACAS-HYJIRZCVSA-N. The full InChI is InChI=1S/C42H56N4O8S.C41H53ClN4O8S.2C41H54N4O8S/c1-40(2,3)35-37(48)46-26-41(53-4,25-34(46)36(47)44-42(24-33(42)29-15-16-29)38(49)45-55(51,52)31-21-22-31)30-19-17-28(18-20-30)32-14-10-9-13-27(32)12-8-6-5-7-11-23-54-39(50)43-35;1-39(2,3)34-36(48)46-24-40(53-4,23-33(46)35(47)44-41(22-32(41)27-10-11-27)37(49)45-55(51,52)30-18-19-30)28-15-12-26(13-16-28)31-21-29(42)17-14-25(31)9-7-5-6-8-20-54-38(50)43-34;1-8-28-22-41(28,36(48)44-54(50,51)30-19-20-30)43-34(46)32-23-40(52-7)24-45(32)35(47)33(38(2,3)4)42-37(49)53-25-39(5,6)21-11-13-26-12-9-10-14-31(26)27-15-17-29(40)18-16-27;1-6-29-24-41(29,37(48)44-54(50,51)31-21-22-31)43-35(46)33-25-40(52-5)26-45(33)36(47)34(39(2,3)4)42-38(49)53-23-13-9-7-8-10-14-27-15-11-12-16-32(27)28-17-19-30(40)20-18-28/h9-10,13-14,17-20,29,31,33-35H,5-8,11-12,15-16,21-26H2,1-4H3,(H,43,50)(H,44,47)(H,45,49);12-17,21,27,30,32-34H,5-11,18-20,22-24H2,1-4H3,(H,43,50)(H,44,47)(H,45,49);8-10,12,14-18,28,30,32-33H,1,11,13,19-25H2,2-7H3,(H,42,49)(H,43,46)(H,44,48);6,11-12,15-20,29,31,33-34H,1,7-10,13-14,21-26H2,2-5H3,(H,42,49)(H,43,46)(H,44,48)/t33-,34-,35+,41-,42+;32-,33-,34+,40-,41+;28-,32+,33-,40+,41-;29-,33+,34-,40+,41-/m0011/s1.

What are the key properties of (2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide?

(2R,4S,7S)-7-tert-butyl-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide has a molecular weight of 3100.35 g/mol, XLogP of 21.02, 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-20-chloro-N-[(1R,2S)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-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)-2-cyclopropyl-1-(cyclopropylsulfonylcarbamoyl)cyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide;(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-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)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10-oxa-5,8-diazatetracyclo[22.2.2.12,5.018,23]nonacosa-1(27),18,20,22,24(28),25-hexaene-4-carboxamide is sourced from PubChem (CID 159802511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).