(2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)

C41H66LuN8O13+3 — CID 157293805

About (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)

(2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+) (PubChem CID 157293805) has the molecular formula C41H66LuN8O13+3 and a molecular weight of 1053.99 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+).

Molecular Properties

• Compound Name: (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)
• PubChem CID: 157293805
• Molecular Formula: C41H66LuN8O13+3
• Molecular Weight: 1053.99 g/mol
• Exact Mass: 1053.41
• IUPAC Name: (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)
• SMILES: CCC[C@@H](NC(=O)N[C@H](CCCCN(Cc1ccc(C)cc1)C(=O)CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)OC=O)C(=O)O.[Lu+3]
• InChI: InChI=1S/C41H66N8O13.Lu/c1-3-8-33(40(59)60)43-41(61)44-35(62-30-50)9-5-7-16-49(25-32-13-11-31(2)12-14-32)36(52)10-4-6-15-42-34(51)26-45-17-19-46(27-37(53)54)21-23-48(29-39(57)58)24-22-47(20-18-45)28-38(55)56;/h11-14,30,33,35H,3-10,15-29H2,1-2H3,(H,42,51)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,43,44,61);/q;+3/t33-,35+;/m1./s1
• InChIKey: HPSPYVGLOSPMEG-WUVDXXIJSA-N
• XLogP: 0.31
• TPSA: 279.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 27
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1053.99
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)?

The IUPAC name of (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+) (CID 157293805) is (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+).

What is the SMILES notation for (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)?

The canonical SMILES for (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+) is CCC[C@@H](NC(=O)N[C@H](CCCCN(Cc1ccc(C)cc1)C(=O)CCCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1)OC=O)C(=O)O.[Lu+3].

What is the InChIKey of (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)?

The InChIKey is HPSPYVGLOSPMEG-WUVDXXIJSA-N. The full InChI is InChI=1S/C41H66N8O13.Lu/c1-3-8-33(40(59)60)43-41(61)44-35(62-30-50)9-5-7-16-49(25-32-13-11-31(2)12-14-32)36(52)10-4-6-15-42-34(51)26-45-17-19-46(27-37(53)54)21-23-48(29-39(57)58)24-22-47(20-18-45)28-38(55)56;/h11-14,30,33,35H,3-10,15-29H2,1-2H3,(H,42,51)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H2,43,44,61);/q;+3/t33-,35+;/m1./s1.

What are the key properties of (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+)?

(2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+) has a molecular weight of 1053.99 g/mol, XLogP of 0.31, 27 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(1S)-1-formyloxy-5-[(4-methylphenyl)methyl-[5-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoyl]amino]pentyl]carbamoylamino]pentanoic acid;lutetium(3+) is sourced from PubChem (CID 157293805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).