2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium

C166H285Gd24N45O63 — CID 163481916

About 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium

2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium (PubChem CID 163481916) has the molecular formula C166H285Gd24N45O63 and a molecular weight of 7693.36 g/mol. Its IUPAC name is 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium.

Molecular Properties

• Compound Name: 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
• PubChem CID: 163481916
• Molecular Formula: C166H285Gd24N45O63
• Molecular Weight: 7693.36 g/mol
• Exact Mass: 7707.23
• IUPAC Name: 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium
• SMILES: CC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)N(C)CC(=O)NCC(CCC(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)(CNC(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CNC(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CCN(CC(=O)O)CC1.CC(C(=O)CCC(=O)NCC(CCC(=O)CNC(=O)C(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)(CNC(=O)CNC(=O)C(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CNC(=O)CNC(=O)C(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd]
• InChI: InChI=1S/C83H143N23O31.C83H142N22O32.24Gd/c1-63(107)40-91-8-18-96(49-72(116)117)20-12-93(13-21-97(19-9-91)50-73(118)119)46-69(113)88(3)42-65(109)84-60-83(7-6-64(108)41-87(2)68(112)45-92-10-22-98(51-74(120)121)28-34-104(57-80(132)133)35-29-99(23-11-92)52-75(122)123,61-85-66(110)43-89(4)70(114)47-94-14-24-100(53-76(124)125)30-36-105(58-81(134)135)37-31-101(25-15-94)54-77(126)127)62-86-67(111)44-90(5)71(115)48-95-16-26-102(55-78(128)129)32-38-106(59-82(136)137)39-33-103(27-17-95)56-79(130)131;1-59(102-33-25-94(48-72(119)120)17-9-90(44-68(111)112)10-18-95(26-34-102)49-73(121)122)64(107)5-6-65(108)87-56-83(8-7-63(106)41-84-80(135)60(2)103-35-27-96(50-74(123)124)19-11-91(45-69(113)114)12-20-97(28-36-103)51-75(125)126,57-88-66(109)42-85-81(136)61(3)104-37-29-98(52-76(127)128)21-13-92(46-70(115)116)14-22-99(30-38-104)53-77(129)130)58-89-67(110)43-86-82(137)62(4)105-39-31-100(54-78(131)132)23-15-93(47-71(117)118)16-24-101(32-40-105)55-79(133)134;;;;;;;;;;;;;;;;;;;;;;;;/h6-62H2,1-5H3,(H,84,109)(H,85,110)(H,86,111)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137);59-62H,5-58H2,1-4H3,(H,84,135)(H,85,136)(H,86,137)(H,87,108)(H,88,109)(H,89,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)
• InChIKey: RZFTYFCQBIVGBA-UHFFFAOYSA-N
• XLogP: -23.27
• TPSA: 1373.00 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 72
• Rotatable Bonds: 99
• Heavy Atoms: 298
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	7693.36
LogP ≤ 5	-23.27
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	72

Frequently Asked Questions

What is the IUPAC name of 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium?

The IUPAC name of 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium (CID 163481916) is 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium.

What is the SMILES notation for 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium?

The canonical SMILES for 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium is CC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)N(C)CC(=O)NCC(CCC(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)(CNC(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CNC(=O)CN(C)C(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CCN(CC(=O)O)CC1.CC(C(=O)CCC(=O)NCC(CCC(=O)CNC(=O)C(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)(CNC(=O)CNC(=O)C(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)CNC(=O)CNC(=O)C(C)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1.[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].

What is the InChIKey of 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium?

The InChIKey is RZFTYFCQBIVGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H143N23O31.C83H142N22O32.24Gd/c1-63(107)40-91-8-18-96(49-72(116)117)20-12-93(13-21-97(19-9-91)50-73(118)119)46-69(113)88(3)42-65(109)84-60-83(7-6-64(108)41-87(2)68(112)45-92-10-22-98(51-74(120)121)28-34-104(57-80(132)133)35-29-99(23-11-92)52-75(122)123,61-85-66(110)43-89(4)70(114)47-94-14-24-100(53-76(124)125)30-36-105(58-81(134)135)37-31-101(25-15-94)54-77(126)127)62-86-67(111)44-90(5)71(115)48-95-16-26-102(55-78(128)129)32-38-106(59-82(136)137)39-33-103(27-17-95)56-79(130)131;1-59(102-33-25-94(48-72(119)120)17-9-90(44-68(111)112)10-18-95(26-34-102)49-73(121)122)64(107)5-6-65(108)87-56-83(8-7-63(106)41-84-80(135)60(2)103-35-27-96(50-74(123)124)19-11-91(45-69(113)114)12-20-97(28-36-103)51-75(125)126,57-88-66(109)42-85-81(136)61(3)104-37-29-98(52-76(127)128)21-13-92(46-70(115)116)14-22-99(30-38-104)53-77(129)130)58-89-67(110)43-86-82(137)62(4)105-39-31-100(54-78(131)132)23-15-93(47-71(117)118)16-24-101(32-40-105)55-79(133)134;;;;;;;;;;;;;;;;;;;;;;;;/h6-62H2,1-5H3,(H,84,109)(H,85,110)(H,86,111)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,132,133)(H,134,135)(H,136,137);59-62H,5-58H2,1-4H3,(H,84,135)(H,85,136)(H,86,137)(H,87,108)(H,88,109)(H,89,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134);;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium?

2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium has a molecular weight of 7693.36 g/mol, XLogP of -23.27, 99 rotatable bonds, 32 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,10-bis(carboxymethyl)-7-[3,6-dioxo-6-[[5-oxo-6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]-2,2-bis[[[2-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoylamino]acetyl]amino]methyl]hexyl]amino]hexan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[7-(carboxymethyl)-4-[2-[methyl-[2-[[6-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]-2,2-bis[[[2-[methyl-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]acetyl]amino]methyl]-5-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;gadolinium is sourced from PubChem (CID 163481916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).