2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum

C57H102IN11O11Pt-3 — CID 156676050

About 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum

2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum (PubChem CID 156676050) has the molecular formula C57H102IN11O11Pt-3 and a molecular weight of 1439.49 g/mol. Its IUPAC name is 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum.

Molecular Properties

• Compound Name: 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum
• PubChem CID: 156676050
• Molecular Formula: C57H102IN11O11Pt-3
• Molecular Weight: 1439.49 g/mol
• Exact Mass: 1438.65
• IUPAC Name: 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.I[Pt].[NH-]CC[N-]CCO
• InChI: InChI=1S/C53H92N9O10.C4H10N2O.HI.Pt/c1-13-37(6)47(61(10)52(67)45(35(2)3)59-51(66)46(36(4)5)60(8)9)43(69-11)33-44(63)62-27-17-20-42(62)48(70-12)38(7)49(64)58-41(32-39-18-15-14-16-19-39)50(65)55-25-28-71-30-31-72-29-26-56-53(68)57-34-40-21-23-54-24-22-40;5-1-2-6-3-4-7;;/h14-16,18-19,35-38,40-43,45-48H,13,17,20-34H2,1-12H3,(H,55,65)(H,58,64)(H,59,66)(H2,56,57,68);5,7H,1-4H2;1H;/q-1;-2;;+1/p-1/t37-,38+,41-,42-,43+,45-,46-,47-,48+;;;/m0.../s1
• InChIKey: IGFOZWPXEHZSRM-XZULSPCBSA-M
• XLogP: 4.88
• TPSA: 281.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 36
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.49
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum?

The IUPAC name of 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum (CID 156676050) is 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum.

What is the SMILES notation for 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum?

The canonical SMILES for 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCNC(=O)NCC1CC[N-]CC1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.I[Pt].[NH-]CC[N-]CCO.

What is the InChIKey of 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum?

The InChIKey is IGFOZWPXEHZSRM-XZULSPCBSA-M. The full InChI is InChI=1S/C53H92N9O10.C4H10N2O.HI.Pt/c1-13-37(6)47(61(10)52(67)45(35(2)3)59-51(66)46(36(4)5)60(8)9)43(69-11)33-44(63)62-27-17-20-42(62)48(70-12)38(7)49(64)58-41(32-39-18-15-14-16-19-39)50(65)55-25-28-71-30-31-72-29-26-56-53(68)57-34-40-21-23-54-24-22-40;5-1-2-6-3-4-7;;/h14-16,18-19,35-38,40-43,45-48H,13,17,20-34H2,1-12H3,(H,55,65)(H,58,64)(H,59,66)(H2,56,57,68);5,7H,1-4H2;1H;/q-1;-2;;+1/p-1/t37-,38+,41-,42-,43+,45-,46-,47-,48+;;;/m0.../s1.

What are the key properties of 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum?

2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum has a molecular weight of 1439.49 g/mol, XLogP of 4.88, 36 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azanidylethyl(2-hydroxyethyl)azanide;(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-3-phenyl-1-[2-[2-[2-(piperidin-1-id-4-ylmethylcarbamoylamino)ethoxy]ethoxy]ethylamino]propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;iodoplatinum is sourced from PubChem (CID 156676050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).