(2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)

C164H247FLu3N24O42S3+ — CID 162301357

About (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)

(2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+) (PubChem CID 162301357) has the molecular formula C164H247FLu3N24O42S3+ and a molecular weight of 3867.01 g/mol. Its IUPAC name is (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+).

Molecular Properties

• Compound Name: (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)
• PubChem CID: 162301357
• Molecular Formula: C164H247FLu3N24O42S3+
• Molecular Weight: 3867.01 g/mol
• Exact Mass: 3864.53
• IUPAC Name: (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)
• SMILES: CCN1CCN(CC(=O)O)CCN(CC(=O)O)C(Cc2ccc(CC(=S)CCCCCCCNC(=O)[C@H](CCC(=O)O)CC(=O)CC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)CN(CC)CC1.CCN1CCN(CC)CCN(CC(=O)O)C(Cc2ccc(NC(=S)NCCCCCC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)CN(CC)CC1.O=C=O.O=C=O.O=C=O.[CH2-]CN1CCN(CC)CCN(C[CH-]OO)CCN(CC(=O)O)C(Cc2ccc(CC(=S)CCCCCCC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)C[C@@H](CCC(=O)O)C(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)C1.[Lu+3].[Lu].[Lu]
• InChI: InChI=1S/C58H87FN8O14S.C55H83N9O9S.C48H77N7O13S.3CO2.3Lu/c1-3-64-28-30-65(4-2)40-47(67(41-55(74)75)33-32-66(31-29-64)34-35-81-80)36-42-16-18-43(19-17-42)37-48(82)12-7-5-6-8-14-52(69)62-50(38-44-20-23-46(59)24-21-44)51(68)39-45(22-25-54(72)73)56(76)60-26-10-9-13-49(57(77)78)63-58(79)61-27-11-15-53(70)71;1-4-61-29-30-62(5-2)33-34-64(40-51(68)69)47(39-63(6-3)32-31-61)37-41-21-24-46(25-22-41)59-55(74)58-27-12-7-8-17-48(65)38-45(36-42-20-23-43-15-9-10-16-44(43)35-42)52(70)56-26-13-11-18-49(53(71)72)60-54(73)57-28-14-19-50(66)67;1-3-52-23-25-53(4-2)32-38(55(34-45(63)64)28-27-54(26-24-52)33-44(61)62)29-35-13-15-36(16-14-35)30-40(69)11-8-6-5-7-9-21-49-46(65)37(17-20-43(59)60)31-39(56)18-19-41(47(66)67)51-48(68)50-22-10-12-42(57)58;3*2-1-3;;;/h16-21,23-24,35,45,47,49-50,80H,2-15,22,25-34,36-41H2,1H3,(H,60,76)(H,62,69)(H,70,71)(H,72,73)(H,74,75)(H,77,78)(H2,61,63,79);9-10,15-16,20-25,35,45,47,49H,4-8,11-14,17-19,26-34,36-40H2,1-3H3,(H,56,70)(H,66,67)(H,68,69)(H,71,72)(H2,57,60,73)(H2,58,59,74);13-16,37-38,41H,3-12,17-34H2,1-2H3,(H,49,65)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,66,67)(H2,50,51,68);;;;;;/q-2;;;;;;;;+3/t45-,47?,49+,50+;45-,47?,49+;37-,38?,41+;;;;;;/m111....../s1
• InChIKey: MERWIDYCFXJPKK-WYOYCXANSA-N
• XLogP: 12.04
• TPSA: 933.42 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 45
• Rotatable Bonds: 102
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3867.01
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)?

The IUPAC name of (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+) (CID 162301357) is (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+).

What is the SMILES notation for (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)?

The canonical SMILES for (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+) is CCN1CCN(CC(=O)O)CCN(CC(=O)O)C(Cc2ccc(CC(=S)CCCCCCCNC(=O)[C@H](CCC(=O)O)CC(=O)CC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)CN(CC)CC1.CCN1CCN(CC)CCN(CC(=O)O)C(Cc2ccc(NC(=S)NCCCCCC(=O)C[C@@H](Cc3ccc4ccccc4c3)C(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)CN(CC)CC1.O=C=O.O=C=O.O=C=O.[CH2-]CN1CCN(CC)CCN(C[CH-]OO)CCN(CC(=O)O)C(Cc2ccc(CC(=S)CCCCCCC(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)C[C@@H](CCC(=O)O)C(=O)NCCCC[C@H](NC(=O)NCCCC(=O)O)C(=O)O)cc2)C1.[Lu+3].[Lu].[Lu].

What is the InChIKey of (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)?

The InChIKey is MERWIDYCFXJPKK-WYOYCXANSA-N. The full InChI is InChI=1S/C58H87FN8O14S.C55H83N9O9S.C48H77N7O13S.3CO2.3Lu/c1-3-64-28-30-65(4-2)40-47(67(41-55(74)75)33-32-66(31-29-64)34-35-81-80)36-42-16-18-43(19-17-42)37-48(82)12-7-5-6-8-14-52(69)62-50(38-44-20-23-46(59)24-21-44)51(68)39-45(22-25-54(72)73)56(76)60-26-10-9-13-49(57(77)78)63-58(79)61-27-11-15-53(70)71;1-4-61-29-30-62(5-2)33-34-64(40-51(68)69)47(39-63(6-3)32-31-61)37-41-21-24-46(25-22-41)59-55(74)58-27-12-7-8-17-48(65)38-45(36-42-20-23-43-15-9-10-16-44(43)35-42)52(70)56-26-13-11-18-49(53(71)72)60-54(73)57-28-14-19-50(66)67;1-3-52-23-25-53(4-2)32-38(55(34-45(63)64)28-27-54(26-24-52)33-44(61)62)29-35-13-15-36(16-14-35)30-40(69)11-8-6-5-7-9-21-49-46(65)37(17-20-43(59)60)31-39(56)18-19-41(47(66)67)51-48(68)50-22-10-12-42(57)58;3*2-1-3;;;/h16-21,23-24,35,45,47,49-50,80H,2-15,22,25-34,36-41H2,1H3,(H,60,76)(H,62,69)(H,70,71)(H,72,73)(H,74,75)(H,77,78)(H2,61,63,79);9-10,15-16,20-25,35,45,47,49H,4-8,11-14,17-19,26-34,36-40H2,1-3H3,(H,56,70)(H,66,67)(H,68,69)(H,71,72)(H2,57,60,73)(H2,58,59,74);13-16,37-38,41H,3-12,17-34H2,1-2H3,(H,49,65)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,66,67)(H2,50,51,68);;;;;;/q-2;;;;;;;;+3/t45-,47?,49+,50+;45-,47?,49+;37-,38?,41+;;;;;;/m111....../s1.

What are the key properties of (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+)?

(2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+) has a molecular weight of 3867.01 g/mol, XLogP of 12.04, 102 rotatable bonds, 25 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,7R)-7-[[9-[4-[[1,10-bis(carboxymethyl)-4,7-diethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonyl]carbamoyl]-2-(3-carboxypropylcarbamoylamino)-5-oxodecanedioic acid;tris(carbon dioxide);(4R,7S)-4-[[(5S)-5-carboxy-5-(3-carboxypropylcarbamoylamino)pentyl]carbamoyl]-7-[[9-[4-[[1-(carboxymethyl)-7-ethyl-4-ethyl-10-(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]-8-sulfanylidenenonanoyl]amino]-8-(4-fluorophenyl)-6-oxooctanoic acid;(2S)-6-[[(2R)-9-[[4-[[1-(carboxymethyl)-4,7,10-triethyl-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]-2-(naphthalen-2-ylmethyl)-4-oxononanoyl]amino]-2-(3-carboxypropylcarbamoylamino)hexanoic acid;lutetium;lutetium(3+) is sourced from PubChem (CID 162301357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).