(1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

C122H177N13O16Si4 — CID 159586781

IUPAC(1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCCN1C(=O)N(COCC[Si](C)(C)C)C(=O)[C@@]12CC[C@@]1(O)[C@H]3Cc4ccc(C)cc4[C@@]1(CCN3C)C2.Cc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1C.Cc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC#N.Cc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C36H49N3O4Si.C31H44N4O4Si.C28H43N3O4Si.C27H41N3O4Si/c1-26-10-13-29-21-31-36(42)15-14-35(24-34(36,30(29)20-26)16-17-37(31)22-28-11-12-28)32(40)38(25-43-18-19-44(2,3)4)33(41)39(35)23-27-8-6-5-7-9-27;1-22-5-8-24-18-26-31(38)10-9-30(20-29(31,25(24)17-22)11-13-33(26)19-23-6-7-23)27(36)34(28(37)35(30)14-12-32)21-39-15-16-40(2,3)4;1-7-31-25(33)30(19-35-14-15-36(4,5)6)24(32)27(31)10-11-28(34)23-17-21-9-8-20(2)16-22(21)26(28,18-27)12-13-29(23)3;1-19-7-8-20-16-22-27(33)10-9-26(17-25(27,21(20)15-19)11-12-28(22)2)23(31)30(24(32)29(26)3)18-34-13-14-35(4,5)6/h5-10,13,20,28,31,42H,11-12,14-19,21-25H2,1-4H3;5,8,17,23,26,38H,6-7,9-11,13-16,18-21H2,1-4H3;8-9,16,23,34H,7,10-15,17-19H2,1-6H3;7-8,15,22,33H,9-14,16-18H2,1-6H3/t31-,34-,35+,36-;26-,29-,30+,31-;23-,26-,27+,28-;22-,25-,26+,27-/m1111/s1
InChIKeyMJSIOHMXLGPHQE-KITITPIPSA-N
MW2194.18 g/mol
LogP16.83
Rot. Bonds28

About (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

(1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (PubChem CID 159586781) has the molecular formula C122H177N13O16Si4 and a molecular weight of 2194.18 g/mol. Its IUPAC name is (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
PubChem CID159586781
Molecular FormulaC122H177N13O16Si4
Molecular Weight2194.18 g/mol
Exact Mass2192.25
IUPAC Name(1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCCN1C(=O)N(COCC[Si](C)(C)C)C(=O)[C@@]12CC[C@@]1(O)[C@H]3Cc4ccc(C)cc4[C@@]1(CCN3C)C2.Cc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1C.Cc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC#N.Cc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C36H49N3O4Si.C31H44N4O4Si.C28H43N3O4Si.C27H41N3O4Si/c1-26-10-13-29-21-31-36(42)15-14-35(24-34(36,30(29)20-26)16-17-37(31)22-28-11-12-28)32(40)38(25-43-18-19-44(2,3)4)33(41)39(35)23-27-8-6-5-7-9-27;1-22-5-8-24-18-26-31(38)10-9-30(20-29(31,25(24)17-22)11-13-33(26)19-23-6-7-23)27(36)34(28(37)35(30)14-12-32)21-39-15-16-40(2,3)4;1-7-31-25(33)30(19-35-14-15-36(4,5)6)24(32)27(31)10-11-28(34)23-17-21-9-8-20(2)16-22(21)26(28,18-27)12-13-29(23)3;1-19-7-8-20-16-22-27(33)10-9-26(17-25(27,21(20)15-19)11-12-28(22)2)23(31)30(24(32)29(26)3)18-34-13-14-35(4,5)6/h5-10,13,20,28,31,42H,11-12,14-19,21-25H2,1-4H3;5,8,17,23,26,38H,6-7,9-11,13-16,18-21H2,1-4H3;8-9,16,23,34H,7,10-15,17-19H2,1-6H3;7-8,15,22,33H,9-14,16-18H2,1-6H3/t31-,34-,35+,36-;26-,29-,30+,31-;23-,26-,27+,28-;22-,25-,26+,27-/m1111/s1
InChIKeyMJSIOHMXLGPHQE-KITITPIPSA-N
XLogP16.83
TPSA317.07 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002194.18
LogP ≤ 516.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (CID 159586781) is (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is CCN1C(=O)N(COCC[Si](C)(C)C)C(=O)[C@@]12CC[C@@]1(O)[C@H]3Cc4ccc(C)cc4[C@@]1(CCN3C)C2.Cc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1C.Cc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1CC#N.Cc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@]1(C3)C(=O)N(COCC[Si](C)(C)C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The InChIKey is MJSIOHMXLGPHQE-KITITPIPSA-N. The full InChI is InChI=1S/C36H49N3O4Si.C31H44N4O4Si.C28H43N3O4Si.C27H41N3O4Si/c1-26-10-13-29-21-31-36(42)15-14-35(24-34(36,30(29)20-26)16-17-37(31)22-28-11-12-28)32(40)38(25-43-18-19-44(2,3)4)33(41)39(35)23-27-8-6-5-7-9-27;1-22-5-8-24-18-26-31(38)10-9-30(20-29(31,25(24)17-22)11-13-33(26)19-23-6-7-23)27(36)34(28(37)35(30)14-12-32)21-39-15-16-40(2,3)4;1-7-31-25(33)30(19-35-14-15-36(4,5)6)24(32)27(31)10-11-28(34)23-17-21-9-8-20(2)16-22(21)26(28,18-27)12-13-29(23)3;1-19-7-8-20-16-22-27(33)10-9-26(17-25(27,21(20)15-19)11-12-28(22)2)23(31)30(24(32)29(26)3)18-34-13-14-35(4,5)6/h5-10,13,20,28,31,42H,11-12,14-19,21-25H2,1-4H3;5,8,17,23,26,38H,6-7,9-11,13-16,18-21H2,1-4H3;8-9,16,23,34H,7,10-15,17-19H2,1-6H3;7-8,15,22,33H,9-14,16-18H2,1-6H3/t31-,34-,35+,36-;26-,29-,30+,31-;23-,26-,27+,28-;22-,25-,26+,27-/m1111/s1.
What are the key properties of (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
(1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione has a molecular weight of 2194.18 g/mol, XLogP of 16.83, 28 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S,13S)-1'-benzyl-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;2-[(1R,9R,10S,13S)-17-(cyclopropylmethyl)-10-hydroxy-4-methyl-2',4'-dioxo-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-1'-yl]acetonitrile;(1R,9R,10S,13S)-1'-ethyl-10-hydroxy-4,17-dimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione;(1R,9R,10S,13S)-10-hydroxy-1',4,17-trimethyl-3'-(2-trimethylsilylethoxymethyl)spiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 159586781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).