N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide

C70H82N12O8 — CID 102379999

About N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide

N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide (PubChem CID 102379999) has the molecular formula C70H82N12O8 and a molecular weight of 1219.50 g/mol. Its IUPAC name is N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide
• PubChem CID: 102379999
• Molecular Formula: C70H82N12O8
• Molecular Weight: 1219.50 g/mol
• Exact Mass: 1218.64
• IUPAC Name: N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide
• SMILES: C#CCN(CC(=O)N(CC(=O)N(CC(=O)N(CCCN=[N+]=[N-])CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)C(=O)CN[C@@H](C)c1ccccc1
• InChI: InChI=1S/C70H82N12O8/c1-8-41-76(64(84)43-73-51(2)57-28-15-9-16-29-57)45-66(86)80(54(5)60-34-21-12-22-35-60)49-69(89)79(53(4)59-32-19-11-20-33-59)47-65(85)77(42-27-40-74-75-72)46-67(87)81(55(6)61-36-23-13-24-37-61)50-70(90)82(56(7)62-38-25-14-26-39-62)48-68(88)78(44-63(71)83)52(3)58-30-17-10-18-31-58/h1,9-26,28-39,51-56,73H,27,40-50H2,2-7H3,(H2,71,83)/t51-,52-,53-,54-,55-,56-/m0/s1
• InChIKey: IIXLIYNORMLYKL-FMBXVYBVSA-N
• XLogP: 8.76
• TPSA: 246.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 33
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.50
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide?

The IUPAC name of N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide (CID 102379999) is N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide.

What is the SMILES notation for N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide?

The canonical SMILES for N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide is C#CCN(CC(=O)N(CC(=O)N(CC(=O)N(CCCN=[N+]=[N-])CC(=O)N(CC(=O)N(CC(=O)N(CC(N)=O)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)C(=O)CN[C@@H](C)c1ccccc1.

What is the InChIKey of N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide?

The InChIKey is IIXLIYNORMLYKL-FMBXVYBVSA-N. The full InChI is InChI=1S/C70H82N12O8/c1-8-41-76(64(84)43-73-51(2)57-28-15-9-16-29-57)45-66(86)80(54(5)60-34-21-12-22-35-60)49-69(89)79(53(4)59-32-19-11-20-33-59)47-65(85)77(42-27-40-74-75-72)46-67(87)81(55(6)61-36-23-13-24-37-61)50-70(90)82(56(7)62-38-25-14-26-39-62)48-68(88)78(44-63(71)83)52(3)58-30-17-10-18-31-58/h1,9-26,28-39,51-56,73H,27,40-50H2,2-7H3,(H2,71,83)/t51-,52-,53-,54-,55-,56-/m0/s1.

What are the key properties of N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide?

N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide has a molecular weight of 1219.50 g/mol, XLogP of 8.76, 33 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-(3-azidopropyl)amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-2-[[(1S)-1-phenylethyl]amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 102379999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).