About [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)
[3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) (PubChem CID 159255211) has the molecular formula C149H181N13O33Y2-2
and a molecular weight of 2859.96 g/mol. Its IUPAC name is [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium).
Frequently Asked Questions
What is the IUPAC name of [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?
The IUPAC name of [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) (CID 159255211) is [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium).
What is the SMILES notation for [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?
The canonical SMILES for [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) is CCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CC[CH-]C3=O.CN1C[C@@H](CCO)C[C@H]1C(=O)O.CN1C[C@@H](CCO)C[C@H]1C(=O)OCC(=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)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)[nH]2)cc1CO3)C(C)C.[Y].[Y].
What is the InChIKey of [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?
The InChIKey is KPLSXQFZBMNYNM-FECIERRMSA-N. The full InChI is InChI=1S/C41H50N6O5.C40H49N3O11.C27H28NO6.C20H17O3.C13H22N2O5.C8H15NO3.2Y/c1-22(2)38(45-41(50)51-5)40(49)47-23(3)6-11-35(47)33-17-30-29-18-37-31(16-25(29)8-10-32(30)43-33)28-9-7-26(15-27(28)21-52-37)34-19-42-39(44-34)36-14-24(12-13-48)20-46(36)4;1-21(2)35(41-40(50)51-5)37(47)43-22(3)6-10-30(43)39(49)54-33-11-8-24-16-29-27-9-7-25(15-26(27)19-52-34(29)17-28(24)36(33)46)32(45)20-53-38(48)31-14-23(12-13-44)18-42(31)4;1-28-13-16(7-8-29)9-23(28)27(32)34-15-25(31)18-5-6-20-19(10-18)14-33-26-12-21-17(11-22(20)26)3-2-4-24(21)30;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;1-9-5-6(2-3-10)4-7(9)8(11)12;;/h7,9,15-16,18-19,22-24,35-36,38,48H,6,8,10-14,17,20-21H2,1-5H3,(H,42,44)(H,45,50);7,9,15-17,21-23,30-31,33,35,44H,6,8,10-14,18-20H2,1-5H3,(H,41,50);4-6,10-12,16,23,29H,2-3,7-9,13-15H2,1H3;5-10H,2-4,11H2,1H3;7-10H,5-6H2,1-4H3,(H,14,19)(H,17,18);6-7,10H,2-5H2,1H3,(H,11,12);;/q;;2*-1;;;;/t23-,24-,35-,36-,38-;22-,23-,30-,31-,33?,35-;16-,23-;;8-,9-,10-;6-,7-;;/m000.00../s1.
What are the key properties of [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium)?
[3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) has a molecular weight of 2859.96 g/mol, XLogP of 17.53, 34 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylate;(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylic acid;(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carboxylic acid;methyl N-[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-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-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;[2-oxo-2-(8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-9-id-3-yl)ethyl] (2S,4R)-4-(2-hydroxyethyl)-1-methylpyrrolidine-2-carboxylate;3-propanoyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-9-id-8-one;bis(yttrium) is sourced from PubChem (CID 159255211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).