tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

C135H164BN17O18 — CID 159875619

About tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 159875619) has the molecular formula C135H164BN17O18 and a molecular weight of 2323.71 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
• PubChem CID: 159875619
• Molecular Formula: C135H164BN17O18
• Molecular Weight: 2323.71 g/mol
• Exact Mass: 2322.25
• IUPAC Name: tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate
• SMILES: COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(-c2cnc([C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)[nH]2)ccc1-4)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(-c2cnc([C@H]3CC[C@@H](C)C3)[nH]2)ccc1-4)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-4)C(C)C.Cc1cnc([C@@H]2C[C@H](C)CN2C(=O)OC(C)(C)C)[nH]1
• InChI: InChI=1S/C44H52N6O6.C40H45N5O4.C37H44BN3O6.C14H23N3O2/c1-23(2)39(48-42(52)54-8)41(51)49-20-24(3)13-36(49)34-17-31-30-18-38-32(16-26(30)10-12-33(31)46-34)29-11-9-27(15-28(29)22-55-38)35-19-45-40(47-35)37-14-25(4)21-50(37)43(53)56-44(5,6)7;1-21(2)37(44-40(47)48-5)39(46)45-19-23(4)13-35(45)33-16-30-29-17-36-31(15-24(29)9-11-32(30)42-33)28-10-8-25(14-27(28)20-49-36)34-18-41-38(43-34)26-7-6-22(3)12-26;1-20(2)33(40-35(43)44-8)34(42)41-18-21(3)13-31(41)30-16-27-26-17-32-28(15-22(26)9-12-29(27)39-30)25-11-10-24(14-23(25)19-45-32)38-46-36(4,5)37(6,7)47-38;1-9-6-11(12-15-7-10(2)16-12)17(8-9)13(18)19-14(3,4)5/h9-12,15-16,18-19,23-25,36-37,39H,13-14,17,20-22H2,1-8H3,(H,45,47)(H,48,52);8-11,14-15,17-18,21-23,26,35,37H,6-7,12-13,16,19-20H2,1-5H3,(H,41,43)(H,44,47);9-12,14-15,17,20-21,31,33H,13,16,18-19H2,1-8H3,(H,40,43);7,9,11H,6,8H2,1-5H3,(H,15,16)/t24-,25-,36-,37-,39-;22-,23+,26+,35+,37+;21-,31-,33-;9-,11-/m0100/s1
• InChIKey: NSWDTUVGQDLKDD-IRPXSCJDSA-N
• XLogP: 25.27
• TPSA: 404.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2323.71
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 159875619) is tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(-c2cnc([C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)[nH]2)ccc1-4)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(-c2cnc([C@H]3CC[C@@H](C)C3)[nH]2)ccc1-4)C(C)C.COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1C1=Nc2ccc3cc4c(cc3c2C1)OCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-4)C(C)C.Cc1cnc([C@@H]2C[C@H](C)CN2C(=O)OC(C)(C)C)[nH]1.

What is the InChIKey of tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

The InChIKey is NSWDTUVGQDLKDD-IRPXSCJDSA-N. The full InChI is InChI=1S/C44H52N6O6.C40H45N5O4.C37H44BN3O6.C14H23N3O2/c1-23(2)39(48-42(52)54-8)41(51)49-20-24(3)13-36(49)34-17-31-30-18-38-32(16-26(30)10-12-33(31)46-34)29-11-9-27(15-28(29)22-55-38)35-19-45-40(47-35)37-14-25(4)21-50(37)43(53)56-44(5,6)7;1-21(2)37(44-40(47)48-5)39(46)45-19-23(4)13-35(45)33-16-30-29-17-36-31(15-24(29)9-11-32(30)42-33)28-10-8-25(14-27(28)20-49-36)34-18-41-38(43-34)26-7-6-22(3)12-26;1-20(2)33(40-35(43)44-8)34(42)41-18-21(3)13-31(41)30-16-27-26-17-32-28(15-22(26)9-12-29(27)39-30)25-11-10-24(14-23(25)19-45-32)38-46-36(4,5)37(6,7)47-38;1-9-6-11(12-15-7-10(2)16-12)17(8-9)13(18)19-14(3,4)5/h9-12,15-16,18-19,23-25,36-37,39H,13-14,17,20-22H2,1-8H3,(H,45,47)(H,48,52);8-11,14-15,17-18,21-23,26,35,37H,6-7,12-13,16,19-20H2,1-5H3,(H,41,43)(H,44,47);9-12,14-15,17,20-21,31,33H,13,16,18-19H2,1-8H3,(H,40,43);7,9,11H,6,8H2,1-5H3,(H,15,16)/t24-,25-,36-,37-,39-;22-,23+,26+,35+,37+;21-,31-,33-;9-,11-/m0100/s1.

What are the key properties of tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate?

tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 2323.71 g/mol, XLogP of 25.27, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,4S)-2-[5-[6-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[17-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 159875619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).