2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))

C256H295Gd5N17O89PS2-16 — CID 160707767

IUPAC2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))
SMILESCC(C)COc1ccc(OCCCNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NCCCOc2ccc(OCC(C)C)cc2CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c(CC(=O)[O-])c1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3C(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(C(=O)[O-])c2)cc1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3CC(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(CC(=O)[O-])c2)cc1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3S(=O)(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(SOO[O-])c2)cc1.COP(=O)(OCCCc1ccccc1)OCC(CN(CC(=O)[O-])CC(Cc1ccccc1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3]
InChIInChI=1S/C62H75N3O19.C60H71N3O19.C58H71N3O21S2.C44H65N5O16.C32H44N3O14P.5Gd/c1-3-5-7-42-9-13-45(14-10-42)38-80-51-21-23-54(47(28-51)30-56(66)67)82-40-53(41-83-55-24-22-52(29-48(55)31-57(68)69)81-39-46-15-11-43(12-16-46)8-6-4-2)84-50-19-17-44(18-20-50)27-49(65(36-61(76)77)37-62(78)79)32-63(33-58(70)71)25-26-64(34-59(72)73)35-60(74)75;1-3-5-7-40-9-13-43(14-10-40)36-78-47-21-23-52(50(28-47)59(74)75)80-38-49(39-81-53-24-22-48(29-51(53)60(76)77)79-37-44-15-11-41(12-16-44)8-6-4-2)82-46-19-17-42(18-20-46)27-45(63(34-57(70)71)35-58(72)73)30-61(31-54(64)65)25-26-62(32-55(66)67)33-56(68)69;1-3-5-7-40-9-13-43(14-10-40)36-76-47-21-23-50(52(28-47)83-82-81-72)78-38-49(39-79-51-24-22-48(29-53(51)84(73,74)75)77-37-44-15-11-41(12-16-44)8-6-4-2)80-46-19-17-42(18-20-46)27-45(61(34-57(68)69)35-58(70)71)30-59(31-54(62)63)25-26-60(32-55(64)65)33-56(66)67;1-30(2)28-64-34-7-9-36(32(19-34)21-40(52)53)62-17-5-11-45-38(50)23-48(26-43(58)59)15-13-47(25-42(56)57)14-16-49(27-44(60)61)24-39(51)46-12-6-18-63-37-10-8-35(65-29-31(3)4)20-33(37)22-41(54)55;1-47-50(46,48-14-8-13-24-9-4-2-5-10-24)49-23-27(35(21-31(42)43)22-32(44)45)17-33(18-28(36)37)16-26(15-25-11-6-3-7-12-25)34(19-29(38)39)20-30(40)41;;;;;/h9-24,28-29,49,53H,3-8,25-27,30-41H2,1-2H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79);9-24,28-29,45,49H,3-8,25-27,30-39H2,1-2H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77);9-24,28-29,45,49,72H,3-8,25-27,30-39H2,1-2H3,(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,73,74,75);7-10,19-20,30-31H,5-6,11-18,21-29H2,1-4H3,(H,45,50)(H,46,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61);2-7,9-12,26-27H,8,13-23H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45);;;;;/q;;;;;5*+3/p-31
InChIKeyRRLJVGUCLKXRDP-UHFFFAOYSA-A
MW5915.56 g/mol
LogP-15.54
Rot. Bonds187

About 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))

2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)) (PubChem CID 160707767) has the molecular formula C256H295Gd5N17O89PS2-16 and a molecular weight of 5915.56 g/mol. Its IUPAC name is 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)).

Molecular Properties

Compound Name2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))
PubChem CID160707767
Molecular FormulaC256H295Gd5N17O89PS2-16
Molecular Weight5915.56 g/mol
Exact Mass5915.46
IUPAC Name2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))
SMILESCC(C)COc1ccc(OCCCNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NCCCOc2ccc(OCC(C)C)cc2CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c(CC(=O)[O-])c1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3C(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(C(=O)[O-])c2)cc1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3CC(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(CC(=O)[O-])c2)cc1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3S(=O)(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(SOO[O-])c2)cc1.COP(=O)(OCCCc1ccccc1)OCC(CN(CC(=O)[O-])CC(Cc1ccccc1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3]
InChIInChI=1S/C62H75N3O19.C60H71N3O19.C58H71N3O21S2.C44H65N5O16.C32H44N3O14P.5Gd/c1-3-5-7-42-9-13-45(14-10-42)38-80-51-21-23-54(47(28-51)30-56(66)67)82-40-53(41-83-55-24-22-52(29-48(55)31-57(68)69)81-39-46-15-11-43(12-16-46)8-6-4-2)84-50-19-17-44(18-20-50)27-49(65(36-61(76)77)37-62(78)79)32-63(33-58(70)71)25-26-64(34-59(72)73)35-60(74)75;1-3-5-7-40-9-13-43(14-10-40)36-78-47-21-23-52(50(28-47)59(74)75)80-38-49(39-81-53-24-22-48(29-51(53)60(76)77)79-37-44-15-11-41(12-16-44)8-6-4-2)82-46-19-17-42(18-20-46)27-45(63(34-57(70)71)35-58(72)73)30-61(31-54(64)65)25-26-62(32-55(66)67)33-56(68)69;1-3-5-7-40-9-13-43(14-10-40)36-76-47-21-23-50(52(28-47)83-82-81-72)78-38-49(39-79-51-24-22-48(29-53(51)84(73,74)75)77-37-44-15-11-41(12-16-44)8-6-4-2)80-46-19-17-42(18-20-46)27-45(61(34-57(68)69)35-58(70)71)30-59(31-54(62)63)25-26-60(32-55(64)65)33-56(66)67;1-30(2)28-64-34-7-9-36(32(19-34)21-40(52)53)62-17-5-11-45-38(50)23-48(26-43(58)59)15-13-47(25-42(56)57)14-16-49(27-44(60)61)24-39(51)46-12-6-18-63-37-10-8-35(65-29-31(3)4)20-33(37)22-41(54)55;1-47-50(46,48-14-8-13-24-9-4-2-5-10-24)49-23-27(35(21-31(42)43)22-32(44)45)17-33(18-28(36)37)16-26(15-25-11-6-3-7-12-25)34(19-29(38)39)20-30(40)41;;;;;/h9-24,28-29,49,53H,3-8,25-27,30-41H2,1-2H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79);9-24,28-29,45,49H,3-8,25-27,30-39H2,1-2H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77);9-24,28-29,45,49,72H,3-8,25-27,30-39H2,1-2H3,(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,73,74,75);7-10,19-20,30-31H,5-6,11-18,21-29H2,1-4H3,(H,45,50)(H,46,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61);2-7,9-12,26-27H,8,13-23H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45);;;;;/q;;;;;5*+3/p-31
InChIKeyRRLJVGUCLKXRDP-UHFFFAOYSA-A
XLogP-15.54
TPSA1589.42 Ų
H-Bond Donors2
H-Bond Acceptors105
Rotatable Bonds187
Heavy Atoms370
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005915.56
LogP ≤ 5-15.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 10105

Analyze 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)) with MolForge

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Related Compounds

2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-bismuthanylphenyl)methoxy]-2-sulfonatophenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[oxido(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;tris(gadolinium(3+))
CID 157388795
2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-ethyl-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;gadolinium(3+)
CID 157192181
2-[2-[4-[2-[bis(carboxymethyl)amino]-3-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxyphenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoic acid
CID 20761053
2-[2-[2-[bis(carboxymethyl)amino]-3-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propoxy]-5-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 59098713
disodium;2-[[(2S)-2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
CID 53240376
2-[2-[[2-[bis(carboxylatomethyl)amino]-3-[1,3-diphenylpropan-2-yloxy(oxido)phosphoryl]oxypropyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
CID 147767823
2-[2-[[2-[bis(carboxylatomethyl)amino]-3-[oxido-[2-(4-phenylphenyl)ethoxy]phosphoryl]oxypropyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;gadolinium
CID 161139119
2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-[2-[ethyl(propyl)amino]-13-phenyltridecyl]amino]acetate;gadolinium(3+)
CID 158693454
2-[2-[[1-[carboxymethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-[4-[3-(phenylmethoxycarbonylamino)propoxy]phenyl]propan-2-yl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
CID 67737026
N-[4-(methylamino)-4-oxobutyl]-2,5-bis(phenylmethoxy)benzamide
CID 67653350
2-[2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[[2-(2-propoxyethoxy)acetyl]amino]phenyl]propyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;methane
CID 163645157
2-(2-methoxyphenoxy)-N-[4-(4-phenylmethoxyphenoxy)butyl]acetamide
CID 24677341

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))?
The IUPAC name of 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)) (CID 160707767) is 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)).
What is the SMILES notation for 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))?
The canonical SMILES for 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)) is CC(C)COc1ccc(OCCCNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NCCCOc2ccc(OCC(C)C)cc2CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c(CC(=O)[O-])c1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3C(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(C(=O)[O-])c2)cc1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3CC(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(CC(=O)[O-])c2)cc1.CCCCc1ccc(COc2ccc(OCC(COc3ccc(OCc4ccc(CCCC)cc4)cc3S(=O)(=O)[O-])Oc3ccc(CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc3)c(SOO[O-])c2)cc1.COP(=O)(OCCCc1ccccc1)OCC(CN(CC(=O)[O-])CC(Cc1ccccc1)N(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].
What is the InChIKey of 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))?
The InChIKey is RRLJVGUCLKXRDP-UHFFFAOYSA-A. The full InChI is InChI=1S/C62H75N3O19.C60H71N3O19.C58H71N3O21S2.C44H65N5O16.C32H44N3O14P.5Gd/c1-3-5-7-42-9-13-45(14-10-42)38-80-51-21-23-54(47(28-51)30-56(66)67)82-40-53(41-83-55-24-22-52(29-48(55)31-57(68)69)81-39-46-15-11-43(12-16-46)8-6-4-2)84-50-19-17-44(18-20-50)27-49(65(36-61(76)77)37-62(78)79)32-63(33-58(70)71)25-26-64(34-59(72)73)35-60(74)75;1-3-5-7-40-9-13-43(14-10-40)36-78-47-21-23-52(50(28-47)59(74)75)80-38-49(39-81-53-24-22-48(29-51(53)60(76)77)79-37-44-15-11-41(12-16-44)8-6-4-2)82-46-19-17-42(18-20-46)27-45(63(34-57(70)71)35-58(72)73)30-61(31-54(64)65)25-26-62(32-55(66)67)33-56(68)69;1-3-5-7-40-9-13-43(14-10-40)36-76-47-21-23-50(52(28-47)83-82-81-72)78-38-49(39-79-51-24-22-48(29-53(51)84(73,74)75)77-37-44-15-11-41(12-16-44)8-6-4-2)80-46-19-17-42(18-20-46)27-45(61(34-57(68)69)35-58(70)71)30-59(31-54(62)63)25-26-60(32-55(64)65)33-56(66)67;1-30(2)28-64-34-7-9-36(32(19-34)21-40(52)53)62-17-5-11-45-38(50)23-48(26-43(58)59)15-13-47(25-42(56)57)14-16-49(27-44(60)61)24-39(51)46-12-6-18-63-37-10-8-35(65-29-31(3)4)20-33(37)22-41(54)55;1-47-50(46,48-14-8-13-24-9-4-2-5-10-24)49-23-27(35(21-31(42)43)22-32(44)45)17-33(18-28(36)37)16-26(15-25-11-6-3-7-12-25)34(19-29(38)39)20-30(40)41;;;;;/h9-24,28-29,49,53H,3-8,25-27,30-41H2,1-2H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79);9-24,28-29,45,49H,3-8,25-27,30-39H2,1-2H3,(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77);9-24,28-29,45,49,72H,3-8,25-27,30-39H2,1-2H3,(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)(H,73,74,75);7-10,19-20,30-31H,5-6,11-18,21-29H2,1-4H3,(H,45,50)(H,46,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61);2-7,9-12,26-27H,8,13-23H2,1H3,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45);;;;;/q;;;;;5*+3/p-31.
What are the key properties of 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+))?
2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)) has a molecular weight of 5915.56 g/mol, XLogP of -15.54, 187 rotatable bonds, 2 hydrogen bond donors, and 105 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-(carboxylatomethyl)phenoxy]propoxy]-5-[(4-butylphenyl)methoxy]phenyl]acetate;2-[2-[4-[2-[bis(carboxylatomethyl)amino]-3-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]propyl]phenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-carboxylatophenoxy]propoxy]-5-[(4-butylphenyl)methoxy]benzoate;2-[[2-[bis(carboxylatomethyl)amino]-3-[4-[1-[4-[(4-butylphenyl)methoxy]-2-oxidoperoxysulfanylphenoxy]-3-[4-[(4-butylphenyl)methoxy]-2-sulfonatophenoxy]propan-2-yl]oxyphenyl]propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;2-[[2-[bis(carboxylatomethyl)amino]-3-[methoxy(3-phenylpropoxy)phosphoryl]oxypropyl]-[2-[bis(carboxylatomethyl)amino]-3-phenylpropyl]amino]acetate;2-[2-[3-[[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[carboxylatomethyl-[2-[3-[2-(carboxylatomethyl)-4-(2-methylpropoxy)phenoxy]propylamino]-2-oxoethyl]amino]ethyl]amino]ethyl]amino]acetyl]amino]propoxy]-5-(2-methylpropoxy)phenyl]acetate;pentakis(gadolinium(3+)) is sourced from PubChem (CID 160707767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).