3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate

C204H254F3N13O49S6 — CID 160860218

IUPAC3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate
SMILESCC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(C(F)(F)F)o2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(CN(C)C)o2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnco2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CN(C)C2=O.COCc1ncc(-c2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H](CC(=O)OC3C4COC5OCC3C5C4)Cc3ccccc3)cc2)o1
InChIInChI=1S/C36H47N3O8S.C35H44N2O9S.C34H39F3N2O8S.2C33H42N2O8S.C33H40N2O8S/c1-23(2)18-39(48(42,43)28-12-10-25(11-13-28)32-17-37-33(46-32)20-38(3)4)19-31(40)26(14-24-8-6-5-7-9-24)16-34(41)47-35-27-15-29-30(35)22-45-36(29)44-21-27;1-22(2)17-37(47(40,41)27-11-9-24(10-12-27)31-16-36-32(45-31)21-42-3)18-30(38)25(13-23-7-5-4-6-8-23)15-33(39)46-34-26-14-28-29(34)20-44-35(28)43-19-26;1-20(2)16-39(48(42,43)25-10-8-22(9-11-25)29-15-38-33(46-29)34(35,36)37)17-28(40)23(12-21-6-4-3-5-7-21)14-30(41)47-31-24-13-26-27(31)19-45-32(26)44-18-24;1-20(2)15-35(44(39,40)25-9-10-26-23(12-25)16-34(3)32(26)38)17-29(36)22(11-21-7-5-4-6-8-21)14-30(37)43-31-24-13-27-28(31)19-42-33(27)41-18-24;1-20(2)15-35(44(39,40)25-10-9-22-16-34(3)32(38)26(22)14-25)17-29(36)23(11-21-7-5-4-6-8-21)13-30(37)43-31-24-12-27-28(31)19-42-33(27)41-18-24;1-21(2)16-35(44(38,39)26-10-8-23(9-11-26)30-15-34-20-42-30)17-29(36)24(12-22-6-4-3-5-7-22)14-31(37)43-32-25-13-27-28(32)19-41-33(27)40-18-25/h5-13,17,23,26-27,29-31,35-36,40H,14-16,18-22H2,1-4H3;4-12,16,22,25-26,28-30,34-35,38H,13-15,17-21H2,1-3H3;3-11,15,20,23-24,26-28,31-32,40H,12-14,16-19H2,1-2H3;4-10,12,20,22,24,27-29,31,33,36H,11,13-19H2,1-3H3;4-10,14,20,23-24,27-29,31,33,36H,11-13,15-19H2,1-3H3;3-11,15,20-21,24-25,27-29,32-33,36H,12-14,16-19H2,1-2H3/t26-,27?,29?,30?,31-,35?,36?;25-,26?,28?,29?,30-,34?,35?;23-,24?,26?,27?,28-,31?,32?;22-,24?,27?,28?,29-,31?,33?;23-,24?,27?,28?,29-,31?,33?;24-,25?,27?,28?,29-,32?,33?/m111111/s1
InChIKeySKJOACYEQNGNFR-KZZIPONYSA-N
MW3921.71 g/mol
LogP23.98
Rot. Bonds80

About 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate

3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate (PubChem CID 160860218) has the molecular formula C204H254F3N13O49S6 and a molecular weight of 3921.71 g/mol. Its IUPAC name is 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate.

Molecular Properties

Compound Name3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate
PubChem CID160860218
Molecular FormulaC204H254F3N13O49S6
Molecular Weight3921.71 g/mol
Exact Mass3918.61
IUPAC Name3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate
SMILESCC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(C(F)(F)F)o2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(CN(C)C)o2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnco2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CN(C)C2=O.COCc1ncc(-c2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H](CC(=O)OC3C4COC5OCC3C5C4)Cc3ccccc3)cc2)o1
InChIInChI=1S/C36H47N3O8S.C35H44N2O9S.C34H39F3N2O8S.2C33H42N2O8S.C33H40N2O8S/c1-23(2)18-39(48(42,43)28-12-10-25(11-13-28)32-17-37-33(46-32)20-38(3)4)19-31(40)26(14-24-8-6-5-7-9-24)16-34(41)47-35-27-15-29-30(35)22-45-36(29)44-21-27;1-22(2)17-37(47(40,41)27-11-9-24(10-12-27)31-16-36-32(45-31)21-42-3)18-30(38)25(13-23-7-5-4-6-8-23)15-33(39)46-34-26-14-28-29(34)20-44-35(28)43-19-26;1-20(2)16-39(48(42,43)25-10-8-22(9-11-25)29-15-38-33(46-29)34(35,36)37)17-28(40)23(12-21-6-4-3-5-7-21)14-30(41)47-31-24-13-26-27(31)19-45-32(26)44-18-24;1-20(2)15-35(44(39,40)25-9-10-26-23(12-25)16-34(3)32(26)38)17-29(36)22(11-21-7-5-4-6-8-21)14-30(37)43-31-24-13-27-28(31)19-42-33(27)41-18-24;1-20(2)15-35(44(39,40)25-10-9-22-16-34(3)32(38)26(22)14-25)17-29(36)23(11-21-7-5-4-6-8-21)13-30(37)43-31-24-12-27-28(31)19-42-33(27)41-18-24;1-21(2)16-35(44(38,39)26-10-8-23(9-11-26)30-15-34-20-42-30)17-29(36)24(12-22-6-4-3-5-7-22)14-31(37)43-32-25-13-27-28(32)19-41-33(27)40-18-25/h5-13,17,23,26-27,29-31,35-36,40H,14-16,18-22H2,1-4H3;4-12,16,22,25-26,28-30,34-35,38H,13-15,17-21H2,1-3H3;3-11,15,20,23-24,26-28,31-32,40H,12-14,16-19H2,1-2H3;4-10,12,20,22,24,27-29,31,33,36H,11,13-19H2,1-3H3;4-10,14,20,23-24,27-29,31,33,36H,11-13,15-19H2,1-3H3;3-11,15,20-21,24-25,27-29,32-33,36H,12-14,16-19H2,1-2H3/t26-,27?,29?,30?,31-,35?,36?;25-,26?,28?,29?,30-,34?,35?;23-,24?,26?,27?,28-,31?,32?;22-,24?,27?,28?,29-,31?,33?;23-,24?,27?,28?,29-,31?,33?;24-,25?,27?,28?,29-,32?,33?/m111111/s1
InChIKeySKJOACYEQNGNFR-KZZIPONYSA-N
XLogP23.98
TPSA771.43 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds80
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003921.71
LogP ≤ 523.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Analyze 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate with MolForge

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Related Compounds

[(1R)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] (3R,4S)-5-[[4-(1-aminocyclopropyl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-benzyl-4-hydroxypentanoate;[(1R)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] (3R,4S)-3-benzyl-5-[[4-(1-carbamoylcyclopropyl)phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;[(1R)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[1-(methylaminomethyl)cyclopropyl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;[(1R)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl] (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate
CID 161379476
3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl N-[(2S,3R)-4-[[4-(2-ethyl-1,3-oxazol-5-yl)phenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 118521017
2-[(4S,7S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl]-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]acetamide
CID 154650171
3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-5-[(4-aminophenyl)sulfonyl-[(1-methylazetidin-3-yl)methyl]amino]-3-benzyl-4-hydroxypentanoate
CID 159882799
[(1S,6R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-yl] (4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate
CID 157405202
[(6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (3R,4R)-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-[(4-phenylmethoxyphenyl)methyl]pentanoate
CID 159899038
[(3R,3aS,4R,6aR)-3-(2-methylpropylamino)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[(3-propan-2-yl-1-benzofuran-5-yl)sulfonyl]amino]pentanoate
CID 159985859
(2-oxo-3,3a,4,6,7,7a-hexahydro-1H-pyrano[4,3-b]pyrrol-7-yl) (3R,4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate
CID 58271278
[(5R,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl] (3R,4S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-benzyl-4-hydroxypentanoate
CID 160933050
[(6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl] (3R,4S)-5-[(3-amino-4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-benzyl-4-hydroxypentanoate
CID 162105006
2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl(methylsulfonyl)amino]pentanoate
CID 58259619
[(2S,4S,6S)-7,9-dioxatricyclo[6.4.0.02,6]dodecan-4-yl] (3R,4S)-3-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentanoate
CID 152926090

Frequently Asked Questions

What is the IUPAC name of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate?
The IUPAC name of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate (CID 160860218) is 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate.
What is the SMILES notation for 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate?
The canonical SMILES for 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate is CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(C(F)(F)F)o2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnc(CN(C)C)o2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc(-c2cnco2)cc1.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2.CC(C)CN(C[C@@H](O)[C@@H](CC(=O)OC1C2COC3OCC1C3C2)Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CN(C)C2=O.COCc1ncc(-c2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H](CC(=O)OC3C4COC5OCC3C5C4)Cc3ccccc3)cc2)o1.
What is the InChIKey of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate?
The InChIKey is SKJOACYEQNGNFR-KZZIPONYSA-N. The full InChI is InChI=1S/C36H47N3O8S.C35H44N2O9S.C34H39F3N2O8S.2C33H42N2O8S.C33H40N2O8S/c1-23(2)18-39(48(42,43)28-12-10-25(11-13-28)32-17-37-33(46-32)20-38(3)4)19-31(40)26(14-24-8-6-5-7-9-24)16-34(41)47-35-27-15-29-30(35)22-45-36(29)44-21-27;1-22(2)17-37(47(40,41)27-11-9-24(10-12-27)31-16-36-32(45-31)21-42-3)18-30(38)25(13-23-7-5-4-6-8-23)15-33(39)46-34-26-14-28-29(34)20-44-35(28)43-19-26;1-20(2)16-39(48(42,43)25-10-8-22(9-11-25)29-15-38-33(46-29)34(35,36)37)17-28(40)23(12-21-6-4-3-5-7-21)14-30(41)47-31-24-13-26-27(31)19-45-32(26)44-18-24;1-20(2)15-35(44(39,40)25-9-10-26-23(12-25)16-34(3)32(26)38)17-29(36)22(11-21-7-5-4-6-8-21)14-30(37)43-31-24-13-27-28(31)19-42-33(27)41-18-24;1-20(2)15-35(44(39,40)25-10-9-22-16-34(3)32(38)26(22)14-25)17-29(36)23(11-21-7-5-4-6-8-21)13-30(37)43-31-24-12-27-28(31)19-42-33(27)41-18-24;1-21(2)16-35(44(38,39)26-10-8-23(9-11-26)30-15-34-20-42-30)17-29(36)24(12-22-6-4-3-5-7-22)14-31(37)43-32-25-13-27-28(32)19-41-33(27)40-18-25/h5-13,17,23,26-27,29-31,35-36,40H,14-16,18-22H2,1-4H3;4-12,16,22,25-26,28-30,34-35,38H,13-15,17-21H2,1-3H3;3-11,15,20,23-24,26-28,31-32,40H,12-14,16-19H2,1-2H3;4-10,12,20,22,24,27-29,31,33,36H,11,13-19H2,1-3H3;4-10,14,20,23-24,27-29,31,33,36H,11-13,15-19H2,1-3H3;3-11,15,20-21,24-25,27-29,32-33,36H,12-14,16-19H2,1-2H3/t26-,27?,29?,30?,31-,35?,36?;25-,26?,28?,29?,30-,34?,35?;23-,24?,26?,27?,28-,31?,32?;22-,24?,27?,28?,29-,31?,33?;23-,24?,27?,28?,29-,31?,33?;24-,25?,27?,28?,29-,32?,33?/m111111/s1.
What are the key properties of 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate?
3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate has a molecular weight of 3921.71 g/mol, XLogP of 23.98, 80 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-5-[[4-[2-[(dimethylamino)methyl]-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]-4-hydroxypentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[[4-[2-(methoxymethyl)-1,3-oxazol-5-yl]phenyl]sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-1-oxo-3H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[(2-methyl-3-oxo-1H-isoindol-5-yl)sulfonyl-(2-methylpropyl)amino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-(1,3-oxazol-5-yl)phenyl]sulfonylamino]pentanoate;3,5-dioxatricyclo[5.2.1.04,8]decan-10-yl (3R,4S)-3-benzyl-4-hydroxy-5-[2-methylpropyl-[4-[2-(trifluoromethyl)-1,3-oxazol-5-yl]phenyl]sulfonylamino]pentanoate is sourced from PubChem (CID 160860218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).