benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol

C203H213Br5N20O44 — CID 157494200

IUPACbenzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol
SMILESBrCCCCCCCCCCCCBr.C.C.C.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1CN(Cc1ccccc1)Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1CNCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc2n1CBr.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc2n1CN(Cc1ccccc1)Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc21.Cc1cc2c(O)cccc2[nH]1.Cc1cc2c(OCC(=O)OCc3ccccc3)cccc2[nH]1.Cc1cc2c(OCC(=O)OCc3ccccc3)cccc2n1CBr.O=C(CBr)OCc1ccccc1
InChIInChI=1S/C49H45N5O10.C35H33N5O10.C28H27N5O10.C21H19BrN2O5.C19H18BrNO3.C18H17NO3.C12H24Br2.C9H9BrO2.C9H9NO.3CH4/c1-31-42(46(57)48(50)59)44-36(20-12-22-38(44)61-27-40(55)63-25-34-16-8-4-9-17-34)53(31)29-52(24-33-14-6-3-7-15-33)30-54-32(2)43(47(58)49(51)60)45-37(54)21-13-23-39(45)62-28-41(56)64-26-35-18-10-5-11-19-35;1-19-28(32(45)34(36)47)30-22(10-6-12-24(30)49-15-26(41)42)39(19)17-38(14-21-8-4-3-5-9-21)18-40-20(2)29(33(46)35(37)48)31-23(40)11-7-13-25(31)50-16-27(43)44;1-13-21(25(38)27(29)40)23-15(5-3-7-17(23)42-9-19(34)35)32(13)11-31-12-33-14(2)22(26(39)28(30)41)24-16(33)6-4-8-18(24)43-10-20(36)37;1-13-18(20(26)21(23)27)19-15(24(13)12-22)8-5-9-16(19)28-11-17(25)29-10-14-6-3-2-4-7-14;1-14-10-16-17(21(14)13-20)8-5-9-18(16)23-12-19(22)24-11-15-6-3-2-4-7-15;1-13-10-15-16(19-13)8-5-9-17(15)21-12-18(20)22-11-14-6-3-2-4-7-14;13-11-9-7-5-3-1-2-4-6-8-10-12-14;10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-5-7-8(10-6)3-2-4-9(7)11;;;/h3-23H,24-30H2,1-2H3,(H2,50,59)(H2,51,60);3-13H,14-18H2,1-2H3,(H2,36,47)(H2,37,48)(H,41,42)(H,43,44);3-8,31H,9-12H2,1-2H3,(H2,29,40)(H2,30,41)(H,34,35)(H,36,37);2-9H,10-12H2,1H3,(H2,23,27);2-10H,11-13H2,1H3;2-10,19H,11-12H2,1H3;1-12H2;1-5H,6-7H2;2-5,10-11H,1H3;3*1H4
InChIKeyBXPZTOFKOHNZLF-UHFFFAOYSA-N
MW4036.55 g/mol
LogP32.19
Rot. Bonds83

About benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol

benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol (PubChem CID 157494200) has the molecular formula C203H213Br5N20O44 and a molecular weight of 4036.55 g/mol. Its IUPAC name is benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol.

Molecular Properties

Compound Namebenzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol
PubChem CID157494200
Molecular FormulaC203H213Br5N20O44
Molecular Weight4036.55 g/mol
Exact Mass4029.10
IUPAC Namebenzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol
SMILESBrCCCCCCCCCCCCBr.C.C.C.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1CN(Cc1ccccc1)Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1CNCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc2n1CBr.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc2n1CN(Cc1ccccc1)Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc21.Cc1cc2c(O)cccc2[nH]1.Cc1cc2c(OCC(=O)OCc3ccccc3)cccc2[nH]1.Cc1cc2c(OCC(=O)OCc3ccccc3)cccc2n1CBr.O=C(CBr)OCc1ccccc1
InChIInChI=1S/C49H45N5O10.C35H33N5O10.C28H27N5O10.C21H19BrN2O5.C19H18BrNO3.C18H17NO3.C12H24Br2.C9H9BrO2.C9H9NO.3CH4/c1-31-42(46(57)48(50)59)44-36(20-12-22-38(44)61-27-40(55)63-25-34-16-8-4-9-17-34)53(31)29-52(24-33-14-6-3-7-15-33)30-54-32(2)43(47(58)49(51)60)45-37(54)21-13-23-39(45)62-28-41(56)64-26-35-18-10-5-11-19-35;1-19-28(32(45)34(36)47)30-22(10-6-12-24(30)49-15-26(41)42)39(19)17-38(14-21-8-4-3-5-9-21)18-40-20(2)29(33(46)35(37)48)31-23(40)11-7-13-25(31)50-16-27(43)44;1-13-21(25(38)27(29)40)23-15(5-3-7-17(23)42-9-19(34)35)32(13)11-31-12-33-14(2)22(26(39)28(30)41)24-16(33)6-4-8-18(24)43-10-20(36)37;1-13-18(20(26)21(23)27)19-15(24(13)12-22)8-5-9-16(19)28-11-17(25)29-10-14-6-3-2-4-7-14;1-14-10-16-17(21(14)13-20)8-5-9-18(16)23-12-19(22)24-11-15-6-3-2-4-7-15;1-13-10-15-16(19-13)8-5-9-17(15)21-12-18(20)22-11-14-6-3-2-4-7-14;13-11-9-7-5-3-1-2-4-6-8-10-12-14;10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-5-7-8(10-6)3-2-4-9(7)11;;;/h3-23H,24-30H2,1-2H3,(H2,50,59)(H2,51,60);3-13H,14-18H2,1-2H3,(H2,36,47)(H2,37,48)(H,41,42)(H,43,44);3-8,31H,9-12H2,1-2H3,(H2,29,40)(H2,30,41)(H,34,35)(H,36,37);2-9H,10-12H2,1H3,(H2,23,27);2-10H,11-13H2,1H3;2-10,19H,11-12H2,1H3;1-12H2;1-5H,6-7H2;2-5,10-11H,1H3;3*1H4
InChIKeyBXPZTOFKOHNZLF-UHFFFAOYSA-N
XLogP32.19
TPSA920.95 Ų
H-Bond Donors15
H-Bond Acceptors51
Rotatable Bonds83
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004036.55
LogP ≤ 532.19
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol?
The IUPAC name of benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol (CID 157494200) is benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol.
What is the SMILES notation for benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol?
The canonical SMILES for benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol is BrCCCCCCCCCCCCBr.C.C.C.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1CN(Cc1ccccc1)Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1CNCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc2n1CBr.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc2n1CN(Cc1ccccc1)Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)OCc3ccccc3)cccc21.Cc1cc2c(O)cccc2[nH]1.Cc1cc2c(OCC(=O)OCc3ccccc3)cccc2[nH]1.Cc1cc2c(OCC(=O)OCc3ccccc3)cccc2n1CBr.O=C(CBr)OCc1ccccc1.
What is the InChIKey of benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol?
The InChIKey is BXPZTOFKOHNZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45N5O10.C35H33N5O10.C28H27N5O10.C21H19BrN2O5.C19H18BrNO3.C18H17NO3.C12H24Br2.C9H9BrO2.C9H9NO.3CH4/c1-31-42(46(57)48(50)59)44-36(20-12-22-38(44)61-27-40(55)63-25-34-16-8-4-9-17-34)53(31)29-52(24-33-14-6-3-7-15-33)30-54-32(2)43(47(58)49(51)60)45-37(54)21-13-23-39(45)62-28-41(56)64-26-35-18-10-5-11-19-35;1-19-28(32(45)34(36)47)30-22(10-6-12-24(30)49-15-26(41)42)39(19)17-38(14-21-8-4-3-5-9-21)18-40-20(2)29(33(46)35(37)48)31-23(40)11-7-13-25(31)50-16-27(43)44;1-13-21(25(38)27(29)40)23-15(5-3-7-17(23)42-9-19(34)35)32(13)11-31-12-33-14(2)22(26(39)28(30)41)24-16(33)6-4-8-18(24)43-10-20(36)37;1-13-18(20(26)21(23)27)19-15(24(13)12-22)8-5-9-16(19)28-11-17(25)29-10-14-6-3-2-4-7-14;1-14-10-16-17(21(14)13-20)8-5-9-18(16)23-12-19(22)24-11-15-6-3-2-4-7-15;1-13-10-15-16(19-13)8-5-9-17(15)21-12-18(20)22-11-14-6-3-2-4-7-14;13-11-9-7-5-3-1-2-4-6-8-10-12-14;10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-5-7-8(10-6)3-2-4-9(7)11;;;/h3-23H,24-30H2,1-2H3,(H2,50,59)(H2,51,60);3-13H,14-18H2,1-2H3,(H2,36,47)(H2,37,48)(H,41,42)(H,43,44);3-8,31H,9-12H2,1-2H3,(H2,29,40)(H2,30,41)(H,34,35)(H,36,37);2-9H,10-12H2,1H3,(H2,23,27);2-10H,11-13H2,1H3;2-10,19H,11-12H2,1H3;1-12H2;1-5H,6-7H2;2-5,10-11H,1H3;3*1H4.
What are the key properties of benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol?
benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol has a molecular weight of 4036.55 g/mol, XLogP of 32.19, 83 rotatable bonds, 15 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-[[benzyl-[[2-methyl-3-oxamoyl-4-(2-oxo-2-phenylmethoxyethoxy)indol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetate;benzyl 2-bromoacetate;benzyl 2-[1-(bromomethyl)-2-methylindol-4-yl]oxyacetate;benzyl 2-[1-(bromomethyl)-2-methyl-3-oxamoylindol-4-yl]oxyacetate;2-[1-[[benzyl-[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methyl]amino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;benzyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-[1-[[[4-(carboxymethoxy)-2-methyl-3-oxamoylindol-1-yl]methylamino]methyl]-2-methyl-3-oxamoylindol-4-yl]oxyacetic acid;1,12-dibromododecane;methane;2-methyl-1H-indol-4-ol is sourced from PubChem (CID 157494200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).