tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate

C24H48N6O5 — CID 59033722

About tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate

tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate (PubChem CID 59033722) has the molecular formula C24H48N6O5 and a molecular weight of 500.69 g/mol. Its IUPAC name is tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate
• PubChem CID: 59033722
• Molecular Formula: C24H48N6O5
• Molecular Weight: 500.69 g/mol
• Exact Mass: 500.37
• IUPAC Name: tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate
• SMILES: CCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
• InChI: InChI=1S/C24H48N6O5/c1-5-6-7-13-18(21(32)28-17(20(27)31)12-8-10-15-25)29-22(33)19(14-9-11-16-26)30-23(34)35-24(2,3)4/h17-19H,5-16,25-26H2,1-4H3,(H2,27,31)(H,28,32)(H,29,33)(H,30,34)/t17-,18-,19-/m0/s1
• InChIKey: FZMUOOPPTRQZTG-FHWLQOOXSA-N
• XLogP: 1.17
• TPSA: 191.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.69
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate (CID 59033722) is tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate is CCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O.

What is the InChIKey of tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate?

The InChIKey is FZMUOOPPTRQZTG-FHWLQOOXSA-N. The full InChI is InChI=1S/C24H48N6O5/c1-5-6-7-13-18(21(32)28-17(20(27)31)12-8-10-15-25)29-22(33)19(14-9-11-16-26)30-23(34)35-24(2,3)4/h17-19H,5-16,25-26H2,1-4H3,(H2,27,31)(H,28,32)(H,29,33)(H,30,34)/t17-,18-,19-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate?

tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate has a molecular weight of 500.69 g/mol, XLogP of 1.17, 18 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 59033722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).