[2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid

C228H324F3N23O66SSi6 — CID 157052944

IUPAC[2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(O)CN1.CC[C@@H]1CC(=O)CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3CC(=O)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc(N)c(C(=O)N3C=C(C)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1N.CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C=C(C)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C=C(OS(=O)(=O)C(F)(F)F)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C[C@H](O)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].COc1ccc([N+](=O)[O-])cc1OCCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1C.O=C=O
InChIInChI=1S/C40H53F3N4O13SSi.C40H56N4O10Si.C40H60N4O6Si.C38H56N4O12Si.C38H52N4O12Si.C20H22N2O9.C11H25NO2Si.CO2/c1-10-27-16-25(2)22-44(27)38(49)31-19-35(56-7)36(21-33(31)47(52)53)58-15-13-11-12-14-57-34-20-32(46(50)51)30(17-26(34)3)37(48)45-23-29(60-61(54,55)40(41,42)43)18-28(45)24-59-62(8,9)39(4,5)6;1-11-29-17-26(2)23-41(29)39(46)32-20-36(51-8)37(22-34(32)44(49)50)53-16-14-12-13-15-52-35-21-33(43(47)48)31(19-28(35)4)38(45)42-24-27(3)18-30(42)25-54-55(9,10)40(5,6)7;1-11-29-17-26(2)23-43(29)39(46)32-20-36(47-8)37(22-34(32)42)49-16-14-12-13-15-48-35-21-33(41)31(19-28(35)4)38(45)44-24-27(3)18-30(44)25-50-51(9,10)40(5,6)7;2*1-9-25-16-27(43)21-39(25)37(46)30-18-34(51-6)35(20-32(30)42(49)50)53-14-12-10-11-13-52-33-19-31(41(47)48)29(15-24(33)2)36(45)40-22-28(44)17-26(40)23-54-55(7,8)38(3,4)5;1-13-10-15(20(23)24)16(22(27)28)12-18(13)30-8-4-3-5-9-31-19-11-14(21(25)26)6-7-17(19)29-2;1-11(2,3)15(4,5)14-8-9-6-10(13)7-12-9;2-1-3/h17,19-23,27-28H,10-16,18,24H2,1-9H3;19-24,29-30H,11-18,25H2,1-10H3;19-24,29-30H,11-18,25,41-42H2,1-10H3;15,18-20,25-28,43-44H,9-14,16-17,21-23H2,1-8H3;15,18-20,25-26H,9-14,16-17,21-23H2,1-8H3;6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,24);9-10,12-13H,6-8H2,1-5H3;/t27-,28+;2*29-,30+;25-,26+,27-,28-;25-,26+;;9-,10?;/m11111.0./s1
InChIKeyAAKOLSBAJJZERV-RYEDPDPZSA-N
MW4700.77 g/mol
LogP44.27
Rot. Bonds100

About [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid

[2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid (PubChem CID 157052944) has the molecular formula C228H324F3N23O66SSi6 and a molecular weight of 4700.77 g/mol. Its IUPAC name is [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid.

Molecular Properties

Compound Name[2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid
PubChem CID157052944
Molecular FormulaC228H324F3N23O66SSi6
Molecular Weight4700.77 g/mol
Exact Mass4697.10
IUPAC Name[2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC(O)CN1.CC[C@@H]1CC(=O)CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3CC(=O)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc(N)c(C(=O)N3C=C(C)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1N.CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C=C(C)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C=C(OS(=O)(=O)C(F)(F)F)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C[C@H](O)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].COc1ccc([N+](=O)[O-])cc1OCCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1C.O=C=O
InChIInChI=1S/C40H53F3N4O13SSi.C40H56N4O10Si.C40H60N4O6Si.C38H56N4O12Si.C38H52N4O12Si.C20H22N2O9.C11H25NO2Si.CO2/c1-10-27-16-25(2)22-44(27)38(49)31-19-35(56-7)36(21-33(31)47(52)53)58-15-13-11-12-14-57-34-20-32(46(50)51)30(17-26(34)3)37(48)45-23-29(60-61(54,55)40(41,42)43)18-28(45)24-59-62(8,9)39(4,5)6;1-11-29-17-26(2)23-41(29)39(46)32-20-36(51-8)37(22-34(32)44(49)50)53-16-14-12-13-15-52-35-21-33(43(47)48)31(19-28(35)4)38(45)42-24-27(3)18-30(42)25-54-55(9,10)40(5,6)7;1-11-29-17-26(2)23-43(29)39(46)32-20-36(47-8)37(22-34(32)42)49-16-14-12-13-15-48-35-21-33(41)31(19-28(35)4)38(45)44-24-27(3)18-30(44)25-50-51(9,10)40(5,6)7;2*1-9-25-16-27(43)21-39(25)37(46)30-18-34(51-6)35(20-32(30)42(49)50)53-14-12-10-11-13-52-33-19-31(41(47)48)29(15-24(33)2)36(45)40-22-28(44)17-26(40)23-54-55(7,8)38(3,4)5;1-13-10-15(20(23)24)16(22(27)28)12-18(13)30-8-4-3-5-9-31-19-11-14(21(25)26)6-7-17(19)29-2;1-11(2,3)15(4,5)14-8-9-6-10(13)7-12-9;2-1-3/h17,19-23,27-28H,10-16,18,24H2,1-9H3;19-24,29-30H,11-18,25H2,1-10H3;19-24,29-30H,11-18,25,41-42H2,1-10H3;15,18-20,25-28,43-44H,9-14,16-17,21-23H2,1-8H3;15,18-20,25-26H,9-14,16-17,21-23H2,1-8H3;6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,24);9-10,12-13H,6-8H2,1-5H3;/t27-,28+;2*29-,30+;25-,26+,27-,28-;25-,26+;;9-,10?;/m11111.0./s1
InChIKeyAAKOLSBAJJZERV-RYEDPDPZSA-N
XLogP44.27
TPSA1129.73 Ų
H-Bond Donors7
H-Bond Acceptors68
Rotatable Bonds100
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004700.77
LogP ≤ 544.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1068

Analyze [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid with MolForge

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Related Compounds

[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(4,5-dimethyl-2-nitrobenzoyl)-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate
CID 89403367
[(2S)-1-(4-butoxy-5-methoxy-2-nitrobenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate
CID 156673663
(2S)-1-(4-butoxy-5-methoxy-2-nitrobenzoyl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-4-one;(4-butoxy-5-methoxy-2-nitrophenyl)-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]methanone
CID 165029401
[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone
CID 90132571
[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidine-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2S)-2-(hydroxymethyl)-4-methylidenepyrrolidin-1-yl]methanone
CID 158105534
[1-[2-amino-4-[5-[5-amino-4-[2-ethyl-4-[(E)-prop-1-enyl]-2,3-dihydropyrrole-1-carbonyl]-2-methoxyphenoxy]pentoxy]-5-methylbenzoyl]-4-[(E)-prop-1-enyl]-2,3-dihydropyrrol-2-yl]methyl acetate;[1-[4-[5-[4-[2-ethyl-4-[(E)-prop-1-enyl]-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-4-[(E)-prop-1-enyl]-2,3-dihydropyrrol-2-yl]methyl acetate
CID 159240156
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one
CID 157243365
prop-2-enyl N-[5-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxyphenoxy]pentoxy]-2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-4-methoxyphenyl]carbamate
CID 140735973
[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypiperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)-3,6-dihydro-2H-pyridin-4-yl] trifluoromethanesulfonate;(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidin-4-one;[(2S,4R)-4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone;4-hydroxy-5-methoxy-2-nitrobenzaldehyde;bis(5-methoxy-4-methyl-2-nitrobenzaldehyde);5-methoxy-4-methyl-2-nitrobenzoic acid;methyl (2S,4R)-4-hydroxy-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate
CID 165100435
tert-butyl N-[5-[5-[5-amino-4-[(2R)-2-ethyl-4-methylidenepyrrolidine-1-carbonyl]-2-methoxyphenoxy]pentoxy]-2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 157411418
prop-2-enyl N-[5-[5-[5-amino-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylidenepyrrolidine-1-carbonyl]-2-methoxyphenoxy]pentoxy]-2-[(2R)-2-ethyl-4-methylidenepyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 174088707
[2-amino-5-methoxy-4-tri(propan-2-yl)silyloxyphenyl]-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methylphenyl)-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrol-1-yl]-[5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxyphenyl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methylphenyl)-2,3-dihydropyrrol-1-yl]-[5-methoxy-2-nitro-4-tri(propan-2-yl)silyloxyphenyl]methanone;prop-2-enyl (6aS)-3-(3-bromopropoxy)-2-methoxy-6-methyl-8-(4-methylphenyl)-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6aS)-3-hydroxy-2-methoxy-6-methyl-8-(4-methylphenyl)-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6aS)-6-hydroxy-2-methoxy-8-(4-methylphenyl)-11-oxo-3-tri(propan-2-yl)silyloxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl (6aS)-2-methoxy-6-methyl-8-(4-methylphenyl)-11-oxo-3-tri(propan-2-yl)silyloxy-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;prop-2-enyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(4-methylphenyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-tri(propan-2-yl)silyloxyphenyl]carbamate;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)-4-(4-methylphenyl)-2,3-dihydropyrrole-1-carbonyl]-4-methoxy-5-tri(propan-2-yl)silyloxyphenyl]carbamate
CID 165073979

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid?
The IUPAC name of [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid (CID 157052944) is [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid.
What is the SMILES notation for [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid?
The canonical SMILES for [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid is CC(C)(C)[Si](C)(C)OC[C@@H]1CC(O)CN1.CC[C@@H]1CC(=O)CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3CC(=O)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc(N)c(C(=O)N3C=C(C)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1N.CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C=C(C)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1CC(C)=CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C=C(OS(=O)(=O)C(F)(F)F)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].CC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OC)c(OCCCCCOc2cc([N+](=O)[O-])c(C(=O)N3C[C@H](O)C[C@H]3CO[Si](C)(C)C(C)(C)C)cc2C)cc1[N+](=O)[O-].COc1ccc([N+](=O)[O-])cc1OCCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1C.O=C=O.
What is the InChIKey of [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid?
The InChIKey is AAKOLSBAJJZERV-RYEDPDPZSA-N. The full InChI is InChI=1S/C40H53F3N4O13SSi.C40H56N4O10Si.C40H60N4O6Si.C38H56N4O12Si.C38H52N4O12Si.C20H22N2O9.C11H25NO2Si.CO2/c1-10-27-16-25(2)22-44(27)38(49)31-19-35(56-7)36(21-33(31)47(52)53)58-15-13-11-12-14-57-34-20-32(46(50)51)30(17-26(34)3)37(48)45-23-29(60-61(54,55)40(41,42)43)18-28(45)24-59-62(8,9)39(4,5)6;1-11-29-17-26(2)23-41(29)39(46)32-20-36(51-8)37(22-34(32)44(49)50)53-16-14-12-13-15-52-35-21-33(43(47)48)31(19-28(35)4)38(45)42-24-27(3)18-30(42)25-54-55(9,10)40(5,6)7;1-11-29-17-26(2)23-43(29)39(46)32-20-36(47-8)37(22-34(32)42)49-16-14-12-13-15-48-35-21-33(41)31(19-28(35)4)38(45)44-24-27(3)18-30(44)25-50-51(9,10)40(5,6)7;2*1-9-25-16-27(43)21-39(25)37(46)30-18-34(51-6)35(20-32(30)42(49)50)53-14-12-10-11-13-52-33-19-31(41(47)48)29(15-24(33)2)36(45)40-22-28(44)17-26(40)23-54-55(7,8)38(3,4)5;1-13-10-15(20(23)24)16(22(27)28)12-18(13)30-8-4-3-5-9-31-19-11-14(21(25)26)6-7-17(19)29-2;1-11(2,3)15(4,5)14-8-9-6-10(13)7-12-9;2-1-3/h17,19-23,27-28H,10-16,18,24H2,1-9H3;19-24,29-30H,11-18,25H2,1-10H3;19-24,29-30H,11-18,25,41-42H2,1-10H3;15,18-20,25-28,43-44H,9-14,16-17,21-23H2,1-8H3;15,18-20,25-26H,9-14,16-17,21-23H2,1-8H3;6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,24);9-10,12-13H,6-8H2,1-5H3;/t27-,28+;2*29-,30+;25-,26+,27-,28-;25-,26+;;9-,10?;/m11111.0./s1.
What are the key properties of [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid?
[2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid has a molecular weight of 4700.77 g/mol, XLogP of 44.27, 100 rotatable bonds, 7 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[5-[5-amino-4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methylphenoxy]pentoxy]-5-methoxyphenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[4-[5-[4-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methoxy-5-nitrophenoxy]pentoxy]-5-methyl-2-nitrobenzoyl]-2,3-dihydropyrrol-4-yl] trifluoromethanesulfonate;[4-[5-[4-[(2S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R,4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone;[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2,3-dihydropyrrole-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrophenyl]-[(2R)-2-ethyl-4-methyl-2,3-dihydropyrrol-1-yl]methanone;(5R)-1-[4-[5-[4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyrrolidine-1-carbonyl]-2-methyl-5-nitrophenoxy]pentoxy]-5-methoxy-2-nitrobenzoyl]-5-ethylpyrrolidin-3-one;(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-ol;carbon dioxide;4-[5-(2-methoxy-5-nitrophenoxy)pentoxy]-5-methyl-2-nitrobenzoic acid is sourced from PubChem (CID 157052944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).