6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

C236H297ClF9N14O47P — CID 167539785

IUPAC6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCCCNC(=O)OCc1ccccc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCCC(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](OC(=O)CCC(C)=O)CN2C(=O)CCCCCCC(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.Cl.O=C(NCCCCCC(=O)N1C[C@H](O)C[C@H]1CO)OCc1ccccc1.[C-]#[N+]CCOP(O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)CCCCCCC(=O)C(F)(F)F)C1)N(C(C)C)C(C)C
InChIInChI=1S/C44H57F3N3O7P.C40H46F3NO8.C40H46N2O7.C35H40F3NO6.C32H40N2O5.C20H28N2O6.C19H28N2O5.C6H11NO3.ClH/c1-32(2)50(33(3)4)58(56-28-27-48-5)57-40-29-37(49(30-40)42(52)18-14-9-8-13-17-41(51)44(45,46)47)31-55-43(34-15-11-10-12-16-34,35-19-23-38(53-6)24-20-35)36-21-25-39(54-7)26-22-36;1-28(45)15-24-38(48)52-35-25-32(44(26-35)37(47)14-10-5-4-9-13-36(46)40(41,42)43)27-51-39(29-11-7-6-8-12-29,30-16-20-33(49-2)21-17-30)31-18-22-34(50-3)23-19-31;1-46-36-21-17-32(18-22-36)40(31-14-8-4-9-15-31,33-19-23-37(47-2)24-20-33)49-29-34-26-35(43)27-42(34)38(44)16-10-5-11-25-41-39(45)48-28-30-12-6-3-7-13-30;1-43-30-18-14-26(15-19-30)34(25-10-6-5-7-11-25,27-16-20-31(44-2)21-17-27)45-24-28-22-29(40)23-39(28)33(42)13-9-4-3-8-12-32(41)35(36,37)38;1-37-29-16-12-25(13-17-29)32(24-9-5-3-6-10-24,26-14-18-30(38-2)19-15-26)39-23-27-21-28(35)22-34(27)31(36)11-7-4-8-20-33;1-27-19(25)17-12-16(23)13-22(17)18(24)10-6-3-7-11-21-20(26)28-14-15-8-4-2-5-9-15;22-13-16-11-17(23)12-21(16)18(24)9-5-2-6-10-20-19(25)26-14-15-7-3-1-4-8-15;1-10-6(9)5-2-4(8)3-7-5;/h10-12,15-16,19-26,32-33,37,40H,8-9,13-14,17-18,27-31H2,1-4,6-7H3;6-8,11-12,16-23,32,35H,4-5,9-10,13-15,24-27H2,1-3H3;3-4,6-9,12-15,17-24,34-35,43H,5,10-11,16,25-29H2,1-2H3,(H,41,45);5-7,10-11,14-21,28-29,40H,3-4,8-9,12-13,22-24H2,1-2H3;3,5-6,9-10,12-19,27-28,35H,4,7-8,11,20-23,33H2,1-2H3;2,4-5,8-9,16-17,23H,3,6-7,10-14H2,1H3,(H,21,26);1,3-4,7-8,16-17,22-23H,2,5-6,9-14H2,(H,20,25);4-5,7-8H,2-3H2,1H3;1H/t37-,40+,58?;32-,35+;34-,35+;28-,29+;27-,28+;2*16-,17+;4-,5+;/m00000101./s1
InChIKeyMXCDFVGGKFAIFY-WAYFCEKUSA-N
MW4319.43 g/mol
LogP36.86
Rot. Bonds105

About 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride

6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (PubChem CID 167539785) has the molecular formula C236H297ClF9N14O47P and a molecular weight of 4319.43 g/mol. Its IUPAC name is 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Name6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
PubChem CID167539785
Molecular FormulaC236H297ClF9N14O47P
Molecular Weight4319.43 g/mol
Exact Mass4316.06
IUPAC Name6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](O)CN1.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCCCNC(=O)OCc1ccccc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCCC(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](OC(=O)CCC(C)=O)CN2C(=O)CCCCCCC(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.Cl.O=C(NCCCCCC(=O)N1C[C@H](O)C[C@H]1CO)OCc1ccccc1.[C-]#[N+]CCOP(O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)CCCCCCC(=O)C(F)(F)F)C1)N(C(C)C)C(C)C
InChIInChI=1S/C44H57F3N3O7P.C40H46F3NO8.C40H46N2O7.C35H40F3NO6.C32H40N2O5.C20H28N2O6.C19H28N2O5.C6H11NO3.ClH/c1-32(2)50(33(3)4)58(56-28-27-48-5)57-40-29-37(49(30-40)42(52)18-14-9-8-13-17-41(51)44(45,46)47)31-55-43(34-15-11-10-12-16-34,35-19-23-38(53-6)24-20-35)36-21-25-39(54-7)26-22-36;1-28(45)15-24-38(48)52-35-25-32(44(26-35)37(47)14-10-5-4-9-13-36(46)40(41,42)43)27-51-39(29-11-7-6-8-12-29,30-16-20-33(49-2)21-17-30)31-18-22-34(50-3)23-19-31;1-46-36-21-17-32(18-22-36)40(31-14-8-4-9-15-31,33-19-23-37(47-2)24-20-33)49-29-34-26-35(43)27-42(34)38(44)16-10-5-11-25-41-39(45)48-28-30-12-6-3-7-13-30;1-43-30-18-14-26(15-19-30)34(25-10-6-5-7-11-25,27-16-20-31(44-2)21-17-27)45-24-28-22-29(40)23-39(28)33(42)13-9-4-3-8-12-32(41)35(36,37)38;1-37-29-16-12-25(13-17-29)32(24-9-5-3-6-10-24,26-14-18-30(38-2)19-15-26)39-23-27-21-28(35)22-34(27)31(36)11-7-4-8-20-33;1-27-19(25)17-12-16(23)13-22(17)18(24)10-6-3-7-11-21-20(26)28-14-15-8-4-2-5-9-15;22-13-16-11-17(23)12-21(16)18(24)9-5-2-6-10-20-19(25)26-14-15-7-3-1-4-8-15;1-10-6(9)5-2-4(8)3-7-5;/h10-12,15-16,19-26,32-33,37,40H,8-9,13-14,17-18,27-31H2,1-4,6-7H3;6-8,11-12,16-23,32,35H,4-5,9-10,13-15,24-27H2,1-3H3;3-4,6-9,12-15,17-24,34-35,43H,5,10-11,16,25-29H2,1-2H3,(H,41,45);5-7,10-11,14-21,28-29,40H,3-4,8-9,12-13,22-24H2,1-2H3;3,5-6,9-10,12-19,27-28,35H,4,7-8,11,20-23,33H2,1-2H3;2,4-5,8-9,16-17,23H,3,6-7,10-14H2,1H3,(H,21,26);1,3-4,7-8,16-17,22-23H,2,5-6,9-14H2,(H,20,25);4-5,7-8H,2-3H2,1H3;1H/t37-,40+,58?;32-,35+;34-,35+;28-,29+;27-,28+;2*16-,17+;4-,5+;/m00000101./s1
InChIKeyMXCDFVGGKFAIFY-WAYFCEKUSA-N
XLogP36.86
TPSA748.51 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds105
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004319.43
LogP ≤ 536.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Analyze 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride with MolForge

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Related Compounds

6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]-3-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)-[4-[(2,2,2-trifluoroacetyl)-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]amino]propanamide;tert-butyl N-butyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxobutyl)amino]propyl]amino]butyl]carbamate;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;oxolane-2,5-dione
CID 123333548
1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-2,2,2-trifluoroethanone;(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]pyrrolidin-3-ol;1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;N,N-diethylethanamine;ethyl 2,2,2-trifluoroacetate;(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-ol;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;2,2,2-trifluoro-1-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 157078144
CID 157371641
CID 157371641
4-[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(7,7,7-trifluoro-6-oxoheptoxy)carbonylpyrrolidin-3-yl]oxy-4-oxobutanoic acid;3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;methanamine;pentyl (2R,4R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-ethylpyrrolidine-1-carboxylate;pentyl (2R,4R)-2-ethyl-4-hydroxypyrrolidine-1-carboxylate;(7,7,7-trifluoro-6-oxoheptyl) (2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[4-(methylamino)-4-oxobutanoyl]oxypyrrolidine-1-carboxylate
CID 158150710
CID 159128892
CID 159128892
CID 159139248
CID 159139248
CID 159643636
CID 159643636
6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione
CID 159838755
CID 160786627
CID 160786627
1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-(methylamino)-4-oxobutanoate;4-[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl]oxy-4-oxobutanoic acid;methanamine;methane;oxolane-2,5-dione
CID 167600632
3-[chloro-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;pentyl (2R,4R)-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-2-ethylpyrrolidine-1-carboxylate;pentyl (2R,4R)-2-ethyl-4-hydroxypyrrolidine-1-carboxylate;(7,7,7-trifluoro-6-oxoheptyl) (2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[4-(methylamino)-4-oxobutanoyl]oxypyrrolidine-1-carboxylate
CID 167666173
CID 167691152
CID 167691152

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride (CID 167539785) is 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@@H](O)CN1.COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCCCNC(=O)OCc1ccccc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCCC(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](O)CN2C(=O)CCCCCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@@H]2C[C@@H](OC(=O)CCC(C)=O)CN2C(=O)CCCCCCC(=O)C(F)(F)F)(c2ccccc2)c2ccc(OC)cc2)cc1.Cl.O=C(NCCCCCC(=O)N1C[C@H](O)C[C@H]1CO)OCc1ccccc1.[C-]#[N+]CCOP(O[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)N(C(=O)CCCCCCC(=O)C(F)(F)F)C1)N(C(C)C)C(C)C.
What is the InChIKey of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is MXCDFVGGKFAIFY-WAYFCEKUSA-N. The full InChI is InChI=1S/C44H57F3N3O7P.C40H46F3NO8.C40H46N2O7.C35H40F3NO6.C32H40N2O5.C20H28N2O6.C19H28N2O5.C6H11NO3.ClH/c1-32(2)50(33(3)4)58(56-28-27-48-5)57-40-29-37(49(30-40)42(52)18-14-9-8-13-17-41(51)44(45,46)47)31-55-43(34-15-11-10-12-16-34,35-19-23-38(53-6)24-20-35)36-21-25-39(54-7)26-22-36;1-28(45)15-24-38(48)52-35-25-32(44(26-35)37(47)14-10-5-4-9-13-36(46)40(41,42)43)27-51-39(29-11-7-6-8-12-29,30-16-20-33(49-2)21-17-30)31-18-22-34(50-3)23-19-31;1-46-36-21-17-32(18-22-36)40(31-14-8-4-9-15-31,33-19-23-37(47-2)24-20-33)49-29-34-26-35(43)27-42(34)38(44)16-10-5-11-25-41-39(45)48-28-30-12-6-3-7-13-30;1-43-30-18-14-26(15-19-30)34(25-10-6-5-7-11-25,27-16-20-31(44-2)21-17-27)45-24-28-22-29(40)23-39(28)33(42)13-9-4-3-8-12-32(41)35(36,37)38;1-37-29-16-12-25(13-17-29)32(24-9-5-3-6-10-24,26-14-18-30(38-2)19-15-26)39-23-27-21-28(35)22-34(27)31(36)11-7-4-8-20-33;1-27-19(25)17-12-16(23)13-22(17)18(24)10-6-3-7-11-21-20(26)28-14-15-8-4-2-5-9-15;22-13-16-11-17(23)12-21(16)18(24)9-5-2-6-10-20-19(25)26-14-15-7-3-1-4-8-15;1-10-6(9)5-2-4(8)3-7-5;/h10-12,15-16,19-26,32-33,37,40H,8-9,13-14,17-18,27-31H2,1-4,6-7H3;6-8,11-12,16-23,32,35H,4-5,9-10,13-15,24-27H2,1-3H3;3-4,6-9,12-15,17-24,34-35,43H,5,10-11,16,25-29H2,1-2H3,(H,41,45);5-7,10-11,14-21,28-29,40H,3-4,8-9,12-13,22-24H2,1-2H3;3,5-6,9-10,12-19,27-28,35H,4,7-8,11,20-23,33H2,1-2H3;2,4-5,8-9,16-17,23H,3,6-7,10-14H2,1H3,(H,21,26);1,3-4,7-8,16-17,22-23H,2,5-6,9-14H2,(H,20,25);4-5,7-8H,2-3H2,1H3;1H/t37-,40+,58?;32-,35+;34-,35+;28-,29+;27-,28+;2*16-,17+;4-,5+;/m00000101./s1.
What are the key properties of 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride?
6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 4319.43 g/mol, XLogP of 36.86, 105 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]hexan-1-one;benzyl N-[6-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-6-oxohexyl]carbamate;benzyl N-[6-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-6-oxohexyl]carbamate;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;1-[(2S,4R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxypyrrolidin-1-yl]-9,9,9-trifluorononane-1,8-dione;[(3R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(9,9,9-trifluoro-8-oxononanoyl)pyrrolidin-3-yl] 4-oxopentanoate;methyl (2S,4R)-4-hydroxy-1-[6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate;methyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 167539785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).