(2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium

C101H141LuN21O25 — CID 164962421

About (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium

(2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium (PubChem CID 164962421) has the molecular formula C101H141LuN21O25 and a molecular weight of 2224.33 g/mol. Its IUPAC name is (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium.

Molecular Properties

• Compound Name: (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium
• PubChem CID: 164962421
• Molecular Formula: C101H141LuN21O25
• Molecular Weight: 2224.33 g/mol
• Exact Mass: 2222.98
• IUPAC Name: (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium
• SMILES: CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)CCC(=O)C[C@@H](CCCCCC(=O)CCCC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)CC(=O)[C@@H](CCC(N)=O)NC(=O)CC[C@H](C(=O)O)N3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)N3CCN(Cc4ccc(-n5c(C(=O)NCC)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)CC2)cc1.[Lu]
• InChI: InChI=1S/C101H141N21O25.Lu/c1-7-105-98(143)95-111-109-93(74-53-72(62(3)4)80(126)55-82(74)128)121(95)68-22-17-64(18-23-68)57-113-41-47-119(48-42-113)89(135)34-26-71(124)51-67(100(145)120-49-43-114(44-50-120)58-65-19-24-69(25-20-65)122-94(110-112-96(122)99(144)106-8-2)75-54-73(63(5)6)81(127)56-83(75)129)13-10-9-11-14-70(123)15-12-16-79(125)76(27-31-86(103)132)108-97(142)66(21-30-85(102)131)52-84(130)77(28-32-87(104)133)107-88(134)33-29-78(101(146)147)118-45-39-116(60-91(138)139)37-35-115(59-90(136)137)36-38-117(40-46-118)61-92(140)141;/h17-20,22-25,53-56,62-63,66-67,76-78,126-129H,7-16,21,26-52,57-61H2,1-6H3,(H2,102,131)(H2,103,132)(H2,104,133)(H,105,143)(H,106,144)(H,107,134)(H,108,142)(H,136,137)(H,138,139)(H,140,141)(H,146,147);/t66-,67+,76+,77+,78+;/m0./s1
• InChIKey: UTKISKXAMDKMOQ-DNAKOGOESA-N
• XLogP: 3.40
• TPSA: 665.55 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 33
• Rotatable Bonds: 57
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2224.33
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium?

The IUPAC name of (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium (CID 164962421) is (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium.

What is the SMILES notation for (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium?

The canonical SMILES for (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium is CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCN(C(=O)CCC(=O)C[C@@H](CCCCCC(=O)CCCC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCC(N)=O)CC(=O)[C@@H](CCC(N)=O)NC(=O)CC[C@H](C(=O)O)N3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)N3CCN(Cc4ccc(-n5c(C(=O)NCC)nnc5-c5cc(C(C)C)c(O)cc5O)cc4)CC3)CC2)cc1.[Lu].

What is the InChIKey of (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium?

The InChIKey is UTKISKXAMDKMOQ-DNAKOGOESA-N. The full InChI is InChI=1S/C101H141N21O25.Lu/c1-7-105-98(143)95-111-109-93(74-53-72(62(3)4)80(126)55-82(74)128)121(95)68-22-17-64(18-23-68)57-113-41-47-119(48-42-113)89(135)34-26-71(124)51-67(100(145)120-49-43-114(44-50-120)58-65-19-24-69(25-20-65)122-94(110-112-96(122)99(144)106-8-2)75-54-73(63(5)6)81(127)56-83(75)129)13-10-9-11-14-70(123)15-12-16-79(125)76(27-31-86(103)132)108-97(142)66(21-30-85(102)131)52-84(130)77(28-32-87(104)133)107-88(134)33-29-78(101(146)147)118-45-39-116(60-91(138)139)37-35-115(59-90(136)137)36-38-117(40-46-118)61-92(140)141;/h17-20,22-25,53-56,62-63,66-67,76-78,126-129H,7-16,21,26-52,57-61H2,1-6H3,(H2,102,131)(H2,103,132)(H2,104,133)(H,105,143)(H,106,144)(H,107,134)(H,108,142)(H,136,137)(H,138,139)(H,140,141)(H,146,147);/t66-,67+,76+,77+,78+;/m0./s1.

What are the key properties of (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium?

(2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium has a molecular weight of 2224.33 g/mol, XLogP of 3.40, 57 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-[[(4R,7S)-1,10-diamino-7-[[(4R,15R)-1-amino-15-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazine-1-carbonyl]-20-[4-[[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-(ethylcarbamoyl)-1,2,4-triazol-4-yl]phenyl]methyl]piperazin-1-yl]-1,5,9,17,20-pentaoxoicosan-4-yl]carbamoyl]-1,5,10-trioxodecan-4-yl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoic acid;lutetium is sourced from PubChem (CID 164962421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).