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

C121H142Cl2N18O15 — CID 161395816

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

tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate (PubChem CID 161395816) has the molecular formula C121H142Cl2N18O15 and a molecular weight of 2159.48 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
• PubChem CID: 161395816
• Molecular Formula: C121H142Cl2N18O15
• Molecular Weight: 2159.48 g/mol
• Exact Mass: 2157.03
• IUPAC Name: tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
• SMILES: C.C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1nc(-c2ccc3c(c2)COc2cc4c(ccc5[nH]c([C@@H]6CC[C@H](C)N6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)nc54)cc2-3)c(Cl)[nH]1)[C@@H](C)OC.C[C@H]1CC[C@@H](c2nc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c([C@@H]7CC[C@H](C)N7C(=O)OC(C)(C)C)nc65)cc3-4)c(Cl)[nH]2)C1.C[C@H]1CC[C@@H](c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c([C@@H]7CC[C@H](C)N7C(=O)OC(C)(C)C)nc65)cc3-4)[nH]2)C1
• InChI: InChI=1S/C45H53ClN8O9.C37H40ClN5O3.C37H41N5O3.2CH4/c1-21-9-15-32(53(21)42(55)35(23(3)59-5)50-44(57)61-7)40-47-31-14-12-25-18-30-28-13-11-26(17-27(28)20-63-34(30)19-29(25)38(31)49-40)37-39(46)52-41(48-37)33-16-10-22(2)54(33)43(56)36(24(4)60-6)51-45(58)62-8;1-19-6-8-23(14-19)34-40-31(33(38)42-34)22-9-11-25-24(15-22)18-45-30-17-26-21(16-27(25)30)10-12-28-32(26)41-35(39-28)29-13-7-20(2)43(29)36(44)46-37(3,4)5;1-20-6-8-24(14-20)34-38-18-30(40-34)23-9-11-26-25(15-23)19-44-32-17-27-22(16-28(26)32)10-12-29-33(27)41-35(39-29)31-13-7-21(2)42(31)36(43)45-37(3,4)5;;/h11-14,17-19,21-24,32-33,35-36H,9-10,15-16,20H2,1-8H3,(H,47,49)(H,48,52)(H,50,57)(H,51,58);9-12,15-17,19-20,23,29H,6-8,13-14,18H2,1-5H3,(H,39,41)(H,40,42);9-12,15-18,20-21,24,31H,6-8,13-14,19H2,1-5H3,(H,38,40)(H,39,41);2*1H4/t21-,22-,23+,24+,32-,33-,35-,36-;19-,20-,23+,29-;20-,21-,24+,31-;;/m000../s1
• InChIKey: VTOUPSZJBSKCFU-UWSROQPVSA-N
• XLogP: 26.93
• TPSA: 394.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.48
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate (CID 161395816) is tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate.

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

The canonical SMILES for tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate is C.C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1nc(-c2ccc3c(c2)COc2cc4c(ccc5[nH]c([C@@H]6CC[C@H](C)N6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)nc54)cc2-3)c(Cl)[nH]1)[C@@H](C)OC.C[C@H]1CC[C@@H](c2nc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c([C@@H]7CC[C@H](C)N7C(=O)OC(C)(C)C)nc65)cc3-4)c(Cl)[nH]2)C1.C[C@H]1CC[C@@H](c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c([C@@H]7CC[C@H](C)N7C(=O)OC(C)(C)C)nc65)cc3-4)[nH]2)C1.

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

The InChIKey is VTOUPSZJBSKCFU-UWSROQPVSA-N. The full InChI is InChI=1S/C45H53ClN8O9.C37H40ClN5O3.C37H41N5O3.2CH4/c1-21-9-15-32(53(21)42(55)35(23(3)59-5)50-44(57)61-7)40-47-31-14-12-25-18-30-28-13-11-26(17-27(28)20-63-34(30)19-29(25)38(31)49-40)37-39(46)52-41(48-37)33-16-10-22(2)54(33)43(56)36(24(4)60-6)51-45(58)62-8;1-19-6-8-23(14-19)34-40-31(33(38)42-34)22-9-11-25-24(15-22)18-45-30-17-26-21(16-27(25)30)10-12-28-32(26)41-35(39-28)29-13-7-20(2)43(29)36(44)46-37(3,4)5;1-20-6-8-24(14-20)34-38-18-30(40-34)23-9-11-26-25(15-23)19-44-32-17-27-22(16-28(26)32)10-12-29-33(27)41-35(39-29)31-13-7-21(2)42(31)36(43)45-37(3,4)5;;/h11-14,17-19,21-24,32-33,35-36H,9-10,15-16,20H2,1-8H3,(H,47,49)(H,48,52)(H,50,57)(H,51,58);9-12,15-17,19-20,23,29H,6-8,13-14,18H2,1-5H3,(H,39,41)(H,40,42);9-12,15-18,20-21,24,31H,6-8,13-14,19H2,1-5H3,(H,38,40)(H,39,41);2*1H4/t21-,22-,23+,24+,32-,33-,35-,36-;19-,20-,23+,29-;20-,21-,24+,31-;;/m000../s1.

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

tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate has a molecular weight of 2159.48 g/mol, XLogP of 26.93, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,5S)-2-[17-[5-chloro-2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidine-1-carboxylate;tert-butyl (2S,5S)-2-methyl-5-[17-[2-[(1R,3S)-3-methylcyclopentyl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidine-1-carboxylate;methane;methyl N-[(2S,3R)-1-[(2S,5S)-2-[17-[5-chloro-2-[(2S,5S)-1-[(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 161395816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).