bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C227H293B4F6I2N25O38S2 — CID 158498951

IUPACbis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(I)=CC1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC(C3CCCC3)=NC43COC3)c3c2C2CCC2C3)C1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC(C3CCCC3)=NC43COC3)c3c2C2CCC2C3)C1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(OS(=O)(=O)C(F)(F)F)c3c2C2CCC2C3)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(B2OC(C)(C)C(C)(C)O2)[nH]1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)NC(C2CCCC2)=NC32COC2)OC1(C)C.COC(=O)C[C@@H](C)C(=O)O.COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC([C@@H]3CCCN3C(=O)[C@H](C)NC(=O)OC)=NC43COC3)c3c2C2CCC2C3)C1.O=S(=O)(Oc1ccc(I)c2c1CC1CCC21)C(F)(F)F
InChIInChI=1S/C43H51N7O7.2C39H46N4O3.C24H28F3N3O5S.C21H29BN2O3.C18H30BN3O4.C13H19IN2O2.C12H24B2O4.C12H10F3IO3S.C6H10O4/c1-23(45-41(53)55-3)39(51)49-15-5-7-35(49)34-19-27(20-44-34)30-13-12-28(31-17-25-9-11-29(25)37(30)31)26-10-14-32-33(18-26)47-38(48-43(32)21-57-22-43)36-8-6-16-50(36)40(52)24(2)46-42(54)56-4;2*1-38(2,3)46-37(44)43-16-6-9-34(43)33-19-26(20-40-33)29-14-13-27(30-17-24-10-12-28(24)35(29)30)25-11-15-31-32(18-25)41-36(23-7-4-5-8-23)42-39(31)21-45-22-39;1-23(2,3)34-22(31)30-10-4-5-18(30)21-28-12-17(29-21)15-8-9-19(35-36(32,33)24(25,26)27)16-11-13-6-7-14(13)20(15)16;1-19(2)20(3,4)27-22(26-19)15-9-10-16-17(11-15)23-18(14-7-5-6-8-14)24-21(16)12-25-13-21;1-16(2,3)24-15(23)22-10-8-9-12(22)14-20-11-13(21-14)19-25-17(4,5)18(6,7)26-19;1-13(2,3)18-12(17)16-8-4-5-10(16)9-6-7-11(14)15-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12(14,15)20(17,18)19-10-4-3-9(16)11-7-2-1-6(7)5-8(10)11;1-4(6(8)9)3-5(7)10-2/h10,12-14,18,20,23-25,29,35-36H,5-9,11,15-17,19,21-22H2,1-4H3,(H,45,53)(H,46,54)(H,47,48);2*11,13-15,18,20,23-24,28,34H,4-10,12,16-17,19,21-22H2,1-3H3,(H,41,42);8-9,12-14,18H,4-7,10-11H2,1-3H3,(H,28,29);9-11,14H,5-8,12-13H2,1-4H3,(H,23,24);11-12H,8-10H2,1-7H3,(H,20,21);7,10H,4-6,8H2,1-3H3;1-8H3;3-4,6-7H,1-2,5H2;4H,3H2,1-2H3,(H,8,9)/t23-,24-,25?,29?,35-,36-;2*24?,28?,34-;13?,14?,18-;;12-;10-;;;4-/m0000.00..1/s1
InChIKeyHJQNCYCSLMAQTR-AGZLCQNTSA-N
MW4455.16 g/mol
LogP42.59
Rot. Bonds31

About bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158498951) has the molecular formula C227H293B4F6I2N25O38S2 and a molecular weight of 4455.16 g/mol. Its IUPAC name is bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Namebis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158498951
Molecular FormulaC227H293B4F6I2N25O38S2
Molecular Weight4455.16 g/mol
Exact Mass4452.96
IUPAC Namebis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(I)=CC1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC(C3CCCC3)=NC43COC3)c3c2C2CCC2C3)C1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC(C3CCCC3)=NC43COC3)c3c2C2CCC2C3)C1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(OS(=O)(=O)C(F)(F)F)c3c2C2CCC2C3)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(B2OC(C)(C)C(C)(C)O2)[nH]1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)NC(C2CCCC2)=NC32COC2)OC1(C)C.COC(=O)C[C@@H](C)C(=O)O.COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC([C@@H]3CCCN3C(=O)[C@H](C)NC(=O)OC)=NC43COC3)c3c2C2CCC2C3)C1.O=S(=O)(Oc1ccc(I)c2c1CC1CCC21)C(F)(F)F
InChIInChI=1S/C43H51N7O7.2C39H46N4O3.C24H28F3N3O5S.C21H29BN2O3.C18H30BN3O4.C13H19IN2O2.C12H24B2O4.C12H10F3IO3S.C6H10O4/c1-23(45-41(53)55-3)39(51)49-15-5-7-35(49)34-19-27(20-44-34)30-13-12-28(31-17-25-9-11-29(25)37(30)31)26-10-14-32-33(18-26)47-38(48-43(32)21-57-22-43)36-8-6-16-50(36)40(52)24(2)46-42(54)56-4;2*1-38(2,3)46-37(44)43-16-6-9-34(43)33-19-26(20-40-33)29-14-13-27(30-17-24-10-12-28(24)35(29)30)25-11-15-31-32(18-25)41-36(23-7-4-5-8-23)42-39(31)21-45-22-39;1-23(2,3)34-22(31)30-10-4-5-18(30)21-28-12-17(29-21)15-8-9-19(35-36(32,33)24(25,26)27)16-11-13-6-7-14(13)20(15)16;1-19(2)20(3,4)27-22(26-19)15-9-10-16-17(11-15)23-18(14-7-5-6-8-14)24-21(16)12-25-13-21;1-16(2,3)24-15(23)22-10-8-9-12(22)14-20-11-13(21-14)19-25-17(4,5)18(6,7)26-19;1-13(2,3)18-12(17)16-8-4-5-10(16)9-6-7-11(14)15-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12(14,15)20(17,18)19-10-4-3-9(16)11-7-2-1-6(7)5-8(10)11;1-4(6(8)9)3-5(7)10-2/h10,12-14,18,20,23-25,29,35-36H,5-9,11,15-17,19,21-22H2,1-4H3,(H,45,53)(H,46,54)(H,47,48);2*11,13-15,18,20,23-24,28,34H,4-10,12,16-17,19,21-22H2,1-3H3,(H,41,42);8-9,12-14,18H,4-7,10-11H2,1-3H3,(H,28,29);9-11,14H,5-8,12-13H2,1-4H3,(H,23,24);11-12H,8-10H2,1-7H3,(H,20,21);7,10H,4-6,8H2,1-3H3;1-8H3;3-4,6-7H,1-2,5H2;4H,3H2,1-2H3,(H,8,9)/t23-,24-,25?,29?,35-,36-;2*24?,28?,34-;13?,14?,18-;;12-;10-;;;4-/m0000.00..1/s1
InChIKeyHJQNCYCSLMAQTR-AGZLCQNTSA-N
XLogP42.59
TPSA730.44 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds31
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004455.16
LogP ≤ 542.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[4-[9,9-dimethyl-7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]fluoren-2-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate;2,7-dibromo-9,9-dimethylfluorene;2,7-dibromo-9H-fluorene;2-[9,9-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,9-dimethylfluoren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157170552
6-bromo-2-cyclopentyl-1H-benzimidazole;tert-butyl (2S)-2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate;methane;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,3S,4S)-3-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate
CID 159255485
methyl N-[(2S)-1-[(2S)-2-[7-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 159503246
4-iodo-7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane];methyl (3S)-3-[(2S)-2-[4-[4-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-4-oxo-3H-quinazolin-6-yl]spiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate;methyl (3S)-4-methyl-3-[(2S)-2-[4-[4-(7-methylspiro[1,2-dihydroindene-3,1'-cyclopentane]-4-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]pentanoate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-quinolin-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate;methyl (3S)-4-methyl-3-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carbonyl]pentanoate
CID 162002553
4,7-bis[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]spiro[3H-indene-2,1'-cyclopentane]-1-one;tert-butyl (2S)-2-[6-[7-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-oxospiro[3H-indene-2,1'-cyclopentane]-4-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;methane;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-oxospiro[1H-indene-2,1'-cyclopentane]-4-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(7-methyl-1-oxospiro[3H-indene-2,1'-cyclopentane]-4-yl) trifluoromethanesulfonate
CID 159193028
methane;methyl N-[(2S)-1-[(2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,3S,4S)-3-[4-[6-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate
CID 159425335
[3-methyl-1-[2-[5-[3-[4-[2-[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 123212245
5-(6-bromonaphthalen-2-yl)-2-cyclopentyl-1H-imidazole;1-(4-bromophenyl)-2-chloroethanone;tert-butyl (6S)-6-[4-(4-bromophenyl)-1H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(2S)-1-[(6S)-6-[4-[4-[6-(2-cyclopentyl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(1R)-2-[(2S)-2-[5-[6-[4-[2-[(6S)-5-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-azaspiro[2.4]heptan-6-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;palladium;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;tetrakis(triphenylphosphane)
CID 161100982
5-(6-bromonaphthalen-2-yl)-2-cyclopentyl-1H-imidazole;tert-butyl 2-[5-[4-[6-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-2-phenylacetic acid;4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[2-[5-[6-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 160861562
(2S,3aS,6aS)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid;(2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate;tert-butyl (3aS,6aS)-2-[4-(4-bromophenyl)-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;tert-butyl (3aS,6aS)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate;ethyl acetate;(2S)-4-methoxy-2-[(1R)-1-methoxyethyl]-4-oxobutanoic acid;(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl) trifluoromethanesulfonate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
CID 157368351
methyl (3R)-4-[(2S)-2-[5-[4-[2,5-difluoro-4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-4-oxobutanoate
CID 58490472
acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161006660

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158498951) is bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC(I)=CC1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC(C3CCCC3)=NC43COC3)c3c2C2CCC2C3)C1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC(C3CCCC3)=NC43COC3)c3c2C2CCC2C3)C1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2ccc(OS(=O)(=O)C(F)(F)F)c3c2C2CCC2C3)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(B2OC(C)(C)C(C)(C)O2)[nH]1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)NC(C2CCCC2)=NC32COC2)OC1(C)C.COC(=O)C[C@@H](C)C(=O)O.COC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccc4c(c3)NC([C@@H]3CCCN3C(=O)[C@H](C)NC(=O)OC)=NC43COC3)c3c2C2CCC2C3)C1.O=S(=O)(Oc1ccc(I)c2c1CC1CCC21)C(F)(F)F.
What is the InChIKey of bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is HJQNCYCSLMAQTR-AGZLCQNTSA-N. The full InChI is InChI=1S/C43H51N7O7.2C39H46N4O3.C24H28F3N3O5S.C21H29BN2O3.C18H30BN3O4.C13H19IN2O2.C12H24B2O4.C12H10F3IO3S.C6H10O4/c1-23(45-41(53)55-3)39(51)49-15-5-7-35(49)34-19-27(20-44-34)30-13-12-28(31-17-25-9-11-29(25)37(30)31)26-10-14-32-33(18-26)47-38(48-43(32)21-57-22-43)36-8-6-16-50(36)40(52)24(2)46-42(54)56-4;2*1-38(2,3)46-37(44)43-16-6-9-34(43)33-19-26(20-40-33)29-14-13-27(30-17-24-10-12-28(24)35(29)30)25-11-15-31-32(18-25)41-36(23-7-4-5-8-23)42-39(31)21-45-22-39;1-23(2,3)34-22(31)30-10-4-5-18(30)21-28-12-17(29-21)15-8-9-19(35-36(32,33)24(25,26)27)16-11-13-6-7-14(13)20(15)16;1-19(2)20(3,4)27-22(26-19)15-9-10-16-17(11-15)23-18(14-7-5-6-8-14)24-21(16)12-25-13-21;1-16(2,3)24-15(23)22-10-8-9-12(22)14-20-11-13(21-14)19-25-17(4,5)18(6,7)26-19;1-13(2,3)18-12(17)16-8-4-5-10(16)9-6-7-11(14)15-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-12(14,15)20(17,18)19-10-4-3-9(16)11-7-2-1-6(7)5-8(10)11;1-4(6(8)9)3-5(7)10-2/h10,12-14,18,20,23-25,29,35-36H,5-9,11,15-17,19,21-22H2,1-4H3,(H,45,53)(H,46,54)(H,47,48);2*11,13-15,18,20,23-24,28,34H,4-10,12,16-17,19,21-22H2,1-3H3,(H,41,42);8-9,12-14,18H,4-7,10-11H2,1-3H3,(H,28,29);9-11,14H,5-8,12-13H2,1-4H3,(H,23,24);11-12H,8-10H2,1-7H3,(H,20,21);7,10H,4-6,8H2,1-3H3;1-8H3;3-4,6-7H,1-2,5H2;4H,3H2,1-2H3,(H,8,9)/t23-,24-,25?,29?,35-,36-;2*24?,28?,34-;13?,14?,18-;;12-;10-;;;4-/m0000.00..1/s1.
What are the key properties of bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 4455.16 g/mol, XLogP of 42.59, 31 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butyl (2S)-2-[4-[6-(2-cyclopentylspiro[1H-quinazoline-4,3'-oxetane]-7-yl)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate);tert-butyl (2S)-2-(5-iodo-3H-pyrrol-2-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-(trifluoromethylsulfonyloxy)-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-3-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-quinazoline-4,3'-oxetane];(3-iodo-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl) trifluoromethanesulfonate;(2R)-4-methoxy-2-methyl-4-oxobutanoic acid;methyl N-[(2S)-1-[(2S)-2-[7-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]inden-6-yl]spiro[1H-quinazoline-4,3'-oxetane]-2-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158498951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).