tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)

C172H223N13O42Y2-2 — CID 160729653

About tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)

tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) (PubChem CID 160729653) has the molecular formula C172H223N13O42Y2-2 and a molecular weight of 3324.55 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium).

Molecular Properties

• Compound Name: tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)
• PubChem CID: 160729653
• Molecular Formula: C172H223N13O42Y2-2
• Molecular Weight: 3324.55 g/mol
• Exact Mass: 3322.40
• IUPAC Name: tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](CCO)C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C[C@@H](CCO)C[C@H]1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CC[CH-]C3=O.CC1CCCO1.CCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CC[CH-]C3=O.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)OC1CCc2cc3c(cc2C1=O)OCc1cc(C(=O)COC(=O)[C@@H]2C[C@H](CCO)CN2C(=O)OC(C)(C)C)ccc1-3)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C1=NC2=C(C1)c1cc3c(cc1CC2)-c1ccc(-c2cnc([C@@H]4C[C@H](CCO)CN4C(=O)OC(C)(C)C)[nH]2)cc1CO3)C(C)C.[2H]C.[2H]C.[Y].[Y]
• InChI: InChI=1S/C45H56N6O7.C44H55N3O13.C31H34NO8.C20H17O3.C13H22N2O5.C12H21NO5.C5H10O.2CH4.2Y/c1-24(2)40(49-43(54)56-7)42(53)51-25(3)8-13-37(51)35-19-32-31-20-39-33(18-27(31)10-12-34(32)47-35)30-11-9-28(17-29(30)23-57-39)36-21-46-41(48-36)38-16-26(14-15-52)22-50(38)44(55)58-45(4,5)6;1-23(2)37(45-42(54)56-7)39(51)47-24(3)8-12-32(47)41(53)59-35-13-10-26-18-31-29-11-9-27(17-28(29)21-57-36(31)19-30(26)38(35)50)34(49)22-58-40(52)33-16-25(14-15-48)20-46(33)43(55)60-44(4,5)6;1-31(2,3)40-30(37)32-15-18(9-10-33)11-25(32)29(36)39-17-27(35)20-7-8-22-21(12-20)16-38-28-14-23-19(13-24(22)28)5-4-6-26(23)34;1-2-18(21)13-6-7-15-14(8-13)11-23-20-10-16-12(9-17(15)20)4-3-5-19(16)22;1-7(2)10(14-13(19)20-4)11(16)15-8(3)5-6-9(15)12(17)18;1-12(2,3)18-11(17)13-7-8(4-5-14)6-9(13)10(15)16;1-5-3-2-4-6-5;;;;/h9,11,17-18,20-21,24-26,37-38,40,52H,8,10,12-16,19,22-23H2,1-7H3,(H,46,48)(H,49,54);9,11,17-19,23-25,32-33,35,37,48H,8,10,12-16,20-22H2,1-7H3,(H,45,54);6-8,12-14,18,25,33H,4-5,9-11,15-17H2,1-3H3;5-10H,2-4,11H2,1H3;7-10H,5-6H2,1-4H3,(H,14,19)(H,17,18);8-9,14H,4-7H2,1-3H3,(H,15,16);5H,2-4H2,1H3;2*1H4;;/q;;2*-1;;;;;;;/t25-,26-,37-,38-,40-;24-,25-,32-,33-,35?,37-;18-,25-;;8-,9-,10-;8-,9-;;;;;/m000.00...../s1/i;;;;;;;2*1D
• InChIKey: HXVZYYQCEWEUJQ-WIFRXVMVSA-N
• XLogP: 25.21
• TPSA: 718.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3324.55
LogP ≤ 5	25.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?

The IUPAC name of tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) (CID 160729653) is tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium).

What is the SMILES notation for tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?

The canonical SMILES for tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) is CC(C)(C)OC(=O)N1C[C@@H](CCO)C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1C[C@@H](CCO)C[C@H]1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CC[CH-]C3=O.CC1CCCO1.CCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CC[CH-]C3=O.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)O)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)OC1CCc2cc3c(cc2C1=O)OCc1cc(C(=O)COC(=O)[C@@H]2C[C@H](CCO)CN2C(=O)OC(C)(C)C)ccc1-3)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C1=NC2=C(C1)c1cc3c(cc1CC2)-c1ccc(-c2cnc([C@@H]4C[C@H](CCO)CN4C(=O)OC(C)(C)C)[nH]2)cc1CO3)C(C)C.[2H]C.[2H]C.[Y].[Y].

What is the InChIKey of tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?

The InChIKey is HXVZYYQCEWEUJQ-WIFRXVMVSA-N. The full InChI is InChI=1S/C45H56N6O7.C44H55N3O13.C31H34NO8.C20H17O3.C13H22N2O5.C12H21NO5.C5H10O.2CH4.2Y/c1-24(2)40(49-43(54)56-7)42(53)51-25(3)8-13-37(51)35-19-32-31-20-39-33(18-27(31)10-12-34(32)47-35)30-11-9-28(17-29(30)23-57-39)36-21-46-41(48-36)38-16-26(14-15-52)22-50(38)44(55)58-45(4,5)6;1-23(2)37(45-42(54)56-7)39(51)47-24(3)8-12-32(47)41(53)59-35-13-10-26-18-31-29-11-9-27(17-28(29)21-57-36(31)19-30(26)38(35)50)34(49)22-58-40(52)33-16-25(14-15-48)20-46(33)43(55)60-44(4,5)6;1-31(2,3)40-30(37)32-15-18(9-10-33)11-25(32)29(36)39-17-27(35)20-7-8-22-21(12-20)16-38-28-14-23-19(13-24(22)28)5-4-6-26(23)34;1-2-18(21)13-6-7-15-14(8-13)11-23-20-10-16-12(9-17(15)20)4-3-5-19(16)22;1-7(2)10(14-13(19)20-4)11(16)15-8(3)5-6-9(15)12(17)18;1-12(2,3)18-11(17)13-7-8(4-5-14)6-9(13)10(15)16;1-5-3-2-4-6-5;;;;/h9,11,17-18,20-21,24-26,37-38,40,52H,8,10,12-16,19,22-23H2,1-7H3,(H,46,48)(H,49,54);9,11,17-19,23-25,32-33,35,37,48H,8,10,12-16,20-22H2,1-7H3,(H,45,54);6-8,12-14,18,25,33H,4-5,9-11,15-17H2,1-3H3;5-10H,2-4,11H2,1H3;7-10H,5-6H2,1-4H3,(H,14,19)(H,17,18);8-9,14H,4-7H2,1-3H3,(H,15,16);5H,2-4H2,1H3;2*1H4;;/q;;2*-1;;;;;;;/t25-,26-,37-,38-,40-;24-,25-,32-,33-,35?,37-;18-,25-;;8-,9-,10-;8-,9-;;;;;/m000.00...../s1/i;;;;;;;2*1D;;.

What are the key properties of tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?

tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) has a molecular weight of 3324.55 g/mol, XLogP of 25.21, 34 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S,4R)-4-(2-hydroxyethyl)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate;deuteriomethane;(2S,4R)-4-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;2-methyloxolane;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) is sourced from PubChem (CID 160729653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).