(4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium

C111H159LuN27O34 — CID 164792782

About (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium

(4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium (PubChem CID 164792782) has the molecular formula C111H159LuN27O34 and a molecular weight of 2590.61 g/mol. Its IUPAC name is (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium.

Molecular Properties

• Compound Name: (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium
• PubChem CID: 164792782
• Molecular Formula: C111H159LuN27O34
• Molecular Weight: 2590.61 g/mol
• Exact Mass: 2589.10
• IUPAC Name: (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium
• SMILES: CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)CCNC(=O)[C@@H](CCC(=O)N3CCN(Cc4ccc(-n5c(C(=O)NCC)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)NC(=O)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CC[C@H](C(=O)O)N3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)cc1.[Lu]
• InChI: InChI=1S/C111H159N27O34.Lu/c1-7-113-109(167)102-127-125-100(75-55-73(67(3)4)83(139)57-85(75)141)137(102)71-16-12-69(13-17-71)61-129-42-48-135(49-43-129)92(148)26-20-78(104(162)117-34-31-93(149)136-50-44-130(45-51-136)62-70-14-18-72(19-15-70)138-101(126-128-103(138)110(168)114-8-2)76-56-74(68(5)6)84(140)58-86(76)142)120-88(144)30-33-116-105(163)79(21-27-94(150)151)123-108(166)81(23-29-96(154)155)124-107(165)80(22-28-95(152)153)122-91(147)66-172-54-53-171-52-35-115-89(145)59-119-106(164)77(11-9-10-32-112)121-90(146)60-118-87(143)25-24-82(111(169)170)134-46-40-132(64-98(158)159)38-36-131(63-97(156)157)37-39-133(41-47-134)65-99(160)161;/h12-19,55-58,67-68,77-82,139-142H,7-11,20-54,59-66,112H2,1-6H3,(H,113,167)(H,114,168)(H,115,145)(H,116,163)(H,117,162)(H,118,143)(H,119,164)(H,120,144)(H,121,146)(H,122,147)(H,123,166)(H,124,165)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,169,170);/t77-,78+,79+,80+,81+,82+;/m0./s1
• InChIKey: QAYUSCDZAQMGTO-YEPMHROMSA-N
• XLogP: -3.23
• TPSA: 857.18 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 40
• Rotatable Bonds: 69
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2590.61
LogP ≤ 5	-3.23
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium?

The IUPAC name of (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium (CID 164792782) is (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium.

What is the SMILES notation for (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium?

The canonical SMILES for (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium is CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)CCNC(=O)[C@@H](CCC(=O)N3CCN(Cc4ccc(-n5c(C(=O)NCC)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)NC(=O)CCNC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)COCCOCCNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CC[C@H](C(=O)O)N3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)CC2)cc1.[Lu].

What is the InChIKey of (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium?

The InChIKey is QAYUSCDZAQMGTO-YEPMHROMSA-N. The full InChI is InChI=1S/C111H159N27O34.Lu/c1-7-113-109(167)102-127-125-100(75-55-73(67(3)4)83(139)57-85(75)141)137(102)71-16-12-69(13-17-71)61-129-42-48-135(49-43-129)92(148)26-20-78(104(162)117-34-31-93(149)136-50-44-130(45-51-136)62-70-14-18-72(19-15-70)138-101(126-128-103(138)110(168)114-8-2)76-56-74(68(5)6)84(140)58-86(76)142)120-88(144)30-33-116-105(163)79(21-27-94(150)151)123-108(166)81(23-29-96(154)155)124-107(165)80(22-28-95(152)153)122-91(147)66-172-54-53-171-52-35-115-89(145)59-119-106(164)77(11-9-10-32-112)121-90(146)60-118-87(143)25-24-82(111(169)170)134-46-40-132(64-98(158)159)38-36-131(63-97(156)157)37-39-133(41-47-134)65-99(160)161;/h12-19,55-58,67-68,77-82,139-142H,7-11,20-54,59-66,112H2,1-6H3,(H,113,167)(H,114,168)(H,115,145)(H,116,163)(H,117,162)(H,118,143)(H,119,164)(H,120,144)(H,121,146)(H,122,147)(H,123,166)(H,124,165)(H,150,151)(H,152,153)(H,154,155)(H,156,157)(H,158,159)(H,160,161)(H,169,170);/t77-,78+,79+,80+,81+,82+;/m0./s1.

What are the key properties of (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium?

(4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium has a molecular weight of 2590.61 g/mol, XLogP of -3.23, 69 rotatable bonds, 24 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[2-[[(4R)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-5-[[(2R)-4-carboxy-1-[[(2R)-4-carboxy-1-[[3-[[(2R)-5-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1-[[3-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid;lutetium is sourced from PubChem (CID 164792782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).