2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium

C166H224I2Lu2N34O32 — CID 165100690

About 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium

2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium (PubChem CID 165100690) has the molecular formula C166H224I2Lu2N34O32 and a molecular weight of 3811.57 g/mol. Its IUPAC name is 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium.

Molecular Properties

• Compound Name: 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium
• PubChem CID: 165100690
• Molecular Formula: C166H224I2Lu2N34O32
• Molecular Weight: 3811.57 g/mol
• Exact Mass: 3809.39
• IUPAC Name: 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium
• SMILES: Cc1ccc(CCCC(=O)Nc2ccc(NC(=O)CCCCC(NCCN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)NCCCCCC(=O)NCCC[C@@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)NCC(=O)N[C@H](Cc4ccc(O)c(I)c4)C(=O)N3C)cc2)cc1.[H]/N=C(\N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)c2ccc(CNC(=O)C(CCCCC(=O)Nc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3)NCCN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)N(C)C(=O)[C@@H](Cc2ccc(O)c(I)c2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O.[Lu].[Lu]
• InChI: InChI=1S/C84H110IN17O16.C82H114IN17O16.2Lu/c1-55-18-20-56(21-19-55)10-7-17-73(105)94-64-31-29-63(30-32-64)93-72(104)16-6-5-13-66(88-36-37-99-38-40-100(52-75(107)108)42-44-102(54-77(111)112)45-43-101(41-39-99)53-76(109)110)79(114)91-50-57-22-27-61(28-23-57)78(113)89-34-9-15-70-82(117)96-67(14-8-35-90-84(86)87)81(116)97-68(48-58-24-26-60-11-3-4-12-62(60)46-58)80(115)92-51-74(106)95-69(83(118)98(70)2)49-59-25-33-71(103)65(85)47-59;1-55-22-24-56(25-23-55)13-10-21-72(104)92-62-31-29-61(30-32-62)91-71(103)20-8-7-16-64(86-37-38-97-39-41-98(52-74(106)107)43-45-100(54-76(110)111)46-44-99(42-40-97)53-75(108)109)77(112)88-34-9-3-4-19-70(102)87-35-12-18-68-80(115)94-65(17-11-36-89-82(84)85)79(114)95-66(49-57-26-28-59-14-5-6-15-60(59)47-57)78(113)90-51-73(105)93-67(81(116)96(68)2)50-58-27-33-69(101)63(83)48-58;;/h3-4,11-12,18-33,46-47,66-70,88,103H,5-10,13-17,34-45,48-54H2,1-2H3,(H,89,113)(H,91,114)(H,92,115)(H,93,104)(H,94,105)(H,95,106)(H,96,117)(H,97,116)(H,107,108)(H,109,110)(H,111,112)(H4,86,87,90);5-6,14-15,22-33,47-48,64-68,86,101H,3-4,7-13,16-21,34-46,49-54H2,1-2H3,(H,87,102)(H,88,112)(H,90,113)(H,91,103)(H,92,104)(H,93,105)(H,94,115)(H,95,114)(H,106,107)(H,108,109)(H,110,111)(H4,84,85,89);;/t66?,67-,68-,69+,70+;64?,65-,66-,67+,68+;;/m00../s1
• InChIKey: SDVFTKBBYVWPSO-ZJLTZXGTSA-N
• XLogP: 6.21
• TPSA: 946.76 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 38
• Rotatable Bonds: 77
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3811.57
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium?

The IUPAC name of 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium (CID 165100690) is 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium.

What is the SMILES notation for 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium?

The canonical SMILES for 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium is Cc1ccc(CCCC(=O)Nc2ccc(NC(=O)CCCCC(NCCN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)NCCCCCC(=O)NCCC[C@@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc4ccc5ccccc5c4)C(=O)NCC(=O)N[C@H](Cc4ccc(O)c(I)c4)C(=O)N3C)cc2)cc1.[H]/N=C(\N)NCCC[C@@H]1NC(=O)[C@@H](CCCNC(=O)c2ccc(CNC(=O)C(CCCCC(=O)Nc3ccc(NC(=O)CCCc4ccc(C)cc4)cc3)NCCN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc2)N(C)C(=O)[C@@H](Cc2ccc(O)c(I)c2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O.[Lu].[Lu].

What is the InChIKey of 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium?

The InChIKey is SDVFTKBBYVWPSO-ZJLTZXGTSA-N. The full InChI is InChI=1S/C84H110IN17O16.C82H114IN17O16.2Lu/c1-55-18-20-56(21-19-55)10-7-17-73(105)94-64-31-29-63(30-32-64)93-72(104)16-6-5-13-66(88-36-37-99-38-40-100(52-75(107)108)42-44-102(54-77(111)112)45-43-101(41-39-99)53-76(109)110)79(114)91-50-57-22-27-61(28-23-57)78(113)89-34-9-15-70-82(117)96-67(14-8-35-90-84(86)87)81(116)97-68(48-58-24-26-60-11-3-4-12-62(60)46-58)80(115)92-51-74(106)95-69(83(118)98(70)2)49-59-25-33-71(103)65(85)47-59;1-55-22-24-56(25-23-55)13-10-21-72(104)92-62-31-29-61(30-32-62)91-71(103)20-8-7-16-64(86-37-38-97-39-41-98(52-74(106)107)43-45-100(54-76(110)111)46-44-99(42-40-97)53-75(108)109)77(112)88-34-9-3-4-19-70(102)87-35-12-18-68-80(115)94-65(17-11-36-89-82(84)85)79(114)95-66(49-57-26-28-59-14-5-6-15-60(59)47-57)78(113)90-51-73(105)93-67(81(116)96(68)2)50-58-27-33-69(101)63(83)48-58;;/h3-4,11-12,18-33,46-47,66-70,88,103H,5-10,13-17,34-45,48-54H2,1-2H3,(H,89,113)(H,91,114)(H,92,115)(H,93,104)(H,94,105)(H,95,106)(H,96,117)(H,97,116)(H,107,108)(H,109,110)(H,111,112)(H4,86,87,90);5-6,14-15,22-33,47-48,64-68,86,101H,3-4,7-13,16-21,34-46,49-54H2,1-2H3,(H,87,102)(H,88,112)(H,90,113)(H,91,103)(H,92,104)(H,93,105)(H,94,115)(H,95,114)(H,106,107)(H,108,109)(H,110,111)(H4,84,85,89);;/t66?,67-,68-,69+,70+;64?,65-,66-,67+,68+;;/m00../s1.

What are the key properties of 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium?

2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium has a molecular weight of 3811.57 g/mol, XLogP of 6.21, 77 rotatable bonds, 31 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4,7-bis(carboxymethyl)-10-[2-[[1-[[6-[3-[(2R,5S,8S,14R)-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylamino]-6-oxohexyl]amino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-[2-[[1-[[4-[3-[(2R,5S,8S,14R)-5-(3-carbamimidamidopropyl)-14-[(4-hydroxy-3-iodophenyl)methyl]-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propylcarbamoyl]phenyl]methylamino]-7-[4-[4-(4-methylphenyl)butanoylamino]anilino]-1,7-dioxoheptan-2-yl]amino]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium is sourced from PubChem (CID 165100690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).