N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide

C30H50N8O6 — CID 46879375

About N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide

N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide (PubChem CID 46879375) has the molecular formula C30H50N8O6 and a molecular weight of 618.78 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide
• PubChem CID: 46879375
• Molecular Formula: C30H50N8O6
• Molecular Weight: 618.78 g/mol
• Exact Mass: 618.39
• IUPAC Name: N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide
• SMILES: CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)NOC(C)(C)C
• InChI: InChI=1S/C30H50N8O6/c1-5-6-7-8-9-10-11-12-13-26(40)35-23(14-21-16-31-19-33-21)27(41)36-24(15-22-17-32-20-34-22)28(42)37-25(18-39)29(43)38-44-30(2,3)4/h16-17,19-20,23-25,39H,5-15,18H2,1-4H3,(H,31,33)(H,32,34)(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t23-,24-,25-/m0/s1
• InChIKey: MXCGOAROZLCDFM-SDHOMARFSA-N
• XLogP: 1.74
• TPSA: 203.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 21
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.78
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide (CID 46879375) is N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide is CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)NOC(C)(C)C.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?

The InChIKey is MXCGOAROZLCDFM-SDHOMARFSA-N. The full InChI is InChI=1S/C30H50N8O6/c1-5-6-7-8-9-10-11-12-13-26(40)35-23(14-21-16-31-19-33-21)27(41)36-24(15-22-17-32-20-34-22)28(42)37-25(18-39)29(43)38-44-30(2,3)4/h16-17,19-20,23-25,39H,5-15,18H2,1-4H3,(H,31,33)(H,32,34)(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t23-,24-,25-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide?

N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide has a molecular weight of 618.78 g/mol, XLogP of 1.74, 21 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[(2-methylpropan-2-yl)oxyamino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]undecanamide is sourced from PubChem (CID 46879375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).