[(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate

C211H288F6N12O50 — CID 165064346

IUPAC[(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate
SMILESCN(C(=O)COC(=O)[C@H](CC1CC1)N(C)C(=O)[C@@H](Cc1ccc(C2CCOCC2)cc1)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1.CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)O.CN[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)N(C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1.CN[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C72H98F2N4O17.C67H90F2N4O15.C37H49FN2O8.C35H51FN2O10/c1-70(2,3)95-69(87)78(11)58(42-72(6,7)74)68(86)94-60(40-49-23-27-52(28-24-49)54-31-35-89-36-32-54)64(82)76(9)55(37-46-17-18-46)65(83)91-44-61(79)75(8)57(41-71(4,5)73)67(85)93-59(39-48-21-25-51(26-22-48)53-29-33-88-34-30-53)63(81)77(10)56(38-47-19-20-47)66(84)92-45-62(80)90-43-50-15-13-12-14-16-50;1-66(2,68)38-52(70-5)62(78)87-56(36-45-18-22-48(23-19-45)50-26-30-82-31-27-50)60(76)72(7)53(34-43-14-15-43)63(79)85-41-58(74)71(6)55(39-67(3,4)69)65(81)88-57(37-46-20-24-49(25-21-46)51-28-32-83-33-29-51)61(77)73(8)54(35-44-16-17-44)64(80)86-42-59(75)84-40-47-12-10-9-11-13-47;1-37(2,38)22-30(39-3)35(43)48-32(21-26-12-14-28(15-13-26)29-16-18-45-19-17-29)34(42)40(4)31(20-25-10-11-25)36(44)47-24-33(41)46-23-27-8-6-5-7-9-27;1-34(2,3)48-33(44)38(7)27(20-35(4,5)36)32(43)47-28(19-23-10-12-24(13-11-23)25-14-16-45-17-15-25)30(41)37(6)26(18-22-8-9-22)31(42)46-21-29(39)40/h12-16,21-28,46-47,53-60H,17-20,29-45H2,1-11H3;9-13,18-25,43-44,50-57,70H,14-17,26-42H2,1-8H3;5-9,12-15,25,29-32,39H,10-11,16-24H2,1-4H3;10-13,22,25-28H,8-9,14-21H2,1-7H3,(H,39,40)/t55-,56-,57-,58-,59+,60+;52-,53-,54-,55-,56+,57+;30-,31-,32+;26-,27-,28+/m0000/s1
InChIKeyRSLBGRLCJDXDFD-YSEVOXTGSA-N
MW3906.65 g/mol
LogP26.70
Rot. Bonds96

About [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate

[(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate (PubChem CID 165064346) has the molecular formula C211H288F6N12O50 and a molecular weight of 3906.65 g/mol. Its IUPAC name is [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Name[(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate
PubChem CID165064346
Molecular FormulaC211H288F6N12O50
Molecular Weight3906.65 g/mol
Exact Mass3904.03
IUPAC Name[(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate
SMILESCN(C(=O)COC(=O)[C@H](CC1CC1)N(C)C(=O)[C@@H](Cc1ccc(C2CCOCC2)cc1)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1.CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)O.CN[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)N(C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1.CN[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1
InChIInChI=1S/C72H98F2N4O17.C67H90F2N4O15.C37H49FN2O8.C35H51FN2O10/c1-70(2,3)95-69(87)78(11)58(42-72(6,7)74)68(86)94-60(40-49-23-27-52(28-24-49)54-31-35-89-36-32-54)64(82)76(9)55(37-46-17-18-46)65(83)91-44-61(79)75(8)57(41-71(4,5)73)67(85)93-59(39-48-21-25-51(26-22-48)53-29-33-88-34-30-53)63(81)77(10)56(38-47-19-20-47)66(84)92-45-62(80)90-43-50-15-13-12-14-16-50;1-66(2,68)38-52(70-5)62(78)87-56(36-45-18-22-48(23-19-45)50-26-30-82-31-27-50)60(76)72(7)53(34-43-14-15-43)63(79)85-41-58(74)71(6)55(39-67(3,4)69)65(81)88-57(37-46-20-24-49(25-21-46)51-28-32-83-33-29-51)61(77)73(8)54(35-44-16-17-44)64(80)86-42-59(75)84-40-47-12-10-9-11-13-47;1-37(2,38)22-30(39-3)35(43)48-32(21-26-12-14-28(15-13-26)29-16-18-45-19-17-29)34(42)40(4)31(20-25-10-11-25)36(44)47-24-33(41)46-23-27-8-6-5-7-9-27;1-34(2,3)48-33(44)38(7)27(20-35(4,5)36)32(43)47-28(19-23-10-12-24(13-11-23)25-14-16-45-17-15-25)30(41)37(6)26(18-22-8-9-22)31(42)46-21-29(39)40/h12-16,21-28,46-47,53-60H,17-20,29-45H2,1-11H3;9-13,18-25,43-44,50-57,70H,14-17,26-42H2,1-8H3;5-9,12-15,25,29-32,39H,10-11,16-24H2,1-4H3;10-13,22,25-28H,8-9,14-21H2,1-7H3,(H,39,40)/t55-,56-,57-,58-,59+,60+;52-,53-,54-,55-,56+,57+;30-,31-,32+;26-,27-,28+/m0000/s1
InChIKeyRSLBGRLCJDXDFD-YSEVOXTGSA-N
XLogP26.70
TPSA732.80 Ų
H-Bond Donors3
H-Bond Acceptors51
Rotatable Bonds96
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003906.65
LogP ≤ 526.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1051

Analyze [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate
CID 165040291
[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate
CID 130196270
(2R)-2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxypropanoic acid
CID 130176860
(2R)-2-[(2S)-2-[[(2R)-2-[(2S)-4-fluoro-2-[[(2R)-2-[(2S)-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-(methylamino)pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]-4,4-dimethylpentanoyl]oxypropanoyl]-methylamino]-4-methylpentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]-4,4-dimethylpentanoyl]oxypropanoic acid;(2R)-2-[(2S)-2-[[(2R)-2-[(2S)-4-fluoro-2-[[(2R)-2-[(2S)-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]-4,4-dimethylpentanoyl]oxypropanoyl]-methylamino]-4-methylpentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]-4,4-dimethylpentanoyl]oxypropanoic acid
CID 161471401
CID 157309236
CID 157309236
[(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-methyl-2-(methylamino)pentanoate;[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoate
CID 160572131
[(2R)-1-[[(2S)-1-[(2R)-1-[[(2S)-4,4-dimethyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl] (2S)-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-4-[4-(oxan-4-yl)phenyl]butanoyl]-methylamino]-4,4-dimethylpentanoate
CID 155282542
[(2R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;[(2R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 161481956
[(2R)-1-[[(2S)-1-[(2R)-1-[[(2S)-4-fluoro-4-methyl-1-[(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl]oxy-1-oxopentan-2-yl]-methylamino]-1-oxopropan-2-yl]oxy-4-methyl-1-oxopentan-2-yl]-methylamino]-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;methane;[(2R)-1-[methyl-[(2S)-4-methyl-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypentan-2-yl]amino]-1-oxo-3-[4-(trifluoromethyl)phenyl]propan-2-yl] (2S)-4-fluoro-2-[[(2R)-2-[(2S)-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(trifluoromethyl)phenyl]propanoyl]-methylamino]-4-methylpentanoyl]oxypropanoyl]-methylamino]-4-methylpentanoate
CID 162120785
[1-[(2E)-2-ethenylpenta-2,4-dienoxy]-1-oxopropan-2-yl] 2-[[2-[4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]-4,4-dimethylpentanoate;propane
CID 145192145
(2R)-2-[4-methyl-2-[methyl-[(2R)-2-[(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]amino]pentanoyl]oxypropanoic acid
CID 145192083
[(2R)-1-oxo-1-phenylmethoxypropan-2-yl] (2S)-2-[[(2R)-2-[3-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]oxy-3-(4-morpholin-4-ylphenyl)propanoyl]-methylamino]-4-methylpentanoate
CID 139409277

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate?
The IUPAC name of [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate (CID 165064346) is [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate?
The canonical SMILES for [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate is CN(C(=O)COC(=O)[C@H](CC1CC1)N(C)C(=O)[C@@H](Cc1ccc(C2CCOCC2)cc1)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1.CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)O.CN[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)N(C)[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1.CN[C@@H](CC(C)(C)F)C(=O)O[C@H](Cc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC1CC1)C(=O)OCC(=O)OCc1ccccc1.
What is the InChIKey of [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate?
The InChIKey is RSLBGRLCJDXDFD-YSEVOXTGSA-N. The full InChI is InChI=1S/C72H98F2N4O17.C67H90F2N4O15.C37H49FN2O8.C35H51FN2O10/c1-70(2,3)95-69(87)78(11)58(42-72(6,7)74)68(86)94-60(40-49-23-27-52(28-24-49)54-31-35-89-36-32-54)64(82)76(9)55(37-46-17-18-46)65(83)91-44-61(79)75(8)57(41-71(4,5)73)67(85)93-59(39-48-21-25-51(26-22-48)53-29-33-88-34-30-53)63(81)77(10)56(38-47-19-20-47)66(84)92-45-62(80)90-43-50-15-13-12-14-16-50;1-66(2,68)38-52(70-5)62(78)87-56(36-45-18-22-48(23-19-45)50-26-30-82-31-27-50)60(76)72(7)53(34-43-14-15-43)63(79)85-41-58(74)71(6)55(39-67(3,4)69)65(81)88-57(37-46-20-24-49(25-21-46)51-28-32-83-33-29-51)61(77)73(8)54(35-44-16-17-44)64(80)86-42-59(75)84-40-47-12-10-9-11-13-47;1-37(2,38)22-30(39-3)35(43)48-32(21-26-12-14-28(15-13-26)29-16-18-45-19-17-29)34(42)40(4)31(20-25-10-11-25)36(44)47-24-33(41)46-23-27-8-6-5-7-9-27;1-34(2,3)48-33(44)38(7)27(20-35(4,5)36)32(43)47-28(19-23-10-12-24(13-11-23)25-14-16-45-17-15-25)30(41)37(6)26(18-22-8-9-22)31(42)46-21-29(39)40/h12-16,21-28,46-47,53-60H,17-20,29-45H2,1-11H3;9-13,18-25,43-44,50-57,70H,14-17,26-42H2,1-8H3;5-9,12-15,25,29-32,39H,10-11,16-24H2,1-4H3;10-13,22,25-28H,8-9,14-21H2,1-7H3,(H,39,40)/t55-,56-,57-,58-,59+,60+;52-,53-,54-,55-,56+,57+;30-,31-,32+;26-,27-,28+/m0000/s1.
What are the key properties of [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate?
[(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate has a molecular weight of 3906.65 g/mol, XLogP of 26.70, 96 rotatable bonds, 3 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(2S)-3-cyclopropyl-1-[2-[[(2S)-1-[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl]oxy-4-fluoro-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethoxy]-1-oxopropan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate;2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetic acid;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-2-[[2-[(2S)-3-cyclopropyl-2-[[(2R)-2-[(2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]oxy-3-[4-(oxan-4-yl)phenyl]propanoyl]-methylamino]propanoyl]oxyacetyl]-methylamino]-4-fluoro-4-methylpentanoate;[(2R)-1-[[(2S)-3-cyclopropyl-1-oxo-1-(2-oxo-2-phenylmethoxyethoxy)propan-2-yl]-methylamino]-3-[4-(oxan-4-yl)phenyl]-1-oxopropan-2-yl] (2S)-4-fluoro-4-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 165064346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).