[(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid

C26H41N3O5 — CID 118496591

About [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid

[(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid (PubChem CID 118496591) has the molecular formula C26H41N3O5 and a molecular weight of 475.63 g/mol. Its IUPAC name is [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid
• PubChem CID: 118496591
• Molecular Formula: C26H41N3O5
• Molecular Weight: 475.63 g/mol
• Exact Mass: 475.30
• IUPAC Name: [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid
• SMILES: CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)C(C[C@@H](C)CCc1ccccc1)NC(=O)O
• InChI: InChI=1S/C26H41N3O5/c1-17(2)13-21(16-30)27-24(31)22(14-18(3)4)28-25(32)23(29-26(33)34)15-19(5)11-12-20-9-7-6-8-10-20/h6-10,16-19,21-23,29H,11-15H2,1-5H3,(H,27,31)(H,28,32)(H,33,34)/t19-,21-,22-,23?/m0/s1
• InChIKey: RHEPJKSVZBQPPF-CLONRYIISA-N
• XLogP: 3.54
• TPSA: 124.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.63
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid?

The IUPAC name of [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid (CID 118496591) is [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid.

What is the SMILES notation for [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid?

The canonical SMILES for [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid is CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)C(C[C@@H](C)CCc1ccccc1)NC(=O)O.

What is the InChIKey of [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid?

The InChIKey is RHEPJKSVZBQPPF-CLONRYIISA-N. The full InChI is InChI=1S/C26H41N3O5/c1-17(2)13-21(16-30)27-24(31)22(14-18(3)4)28-25(32)23(29-26(33)34)15-19(5)11-12-20-9-7-6-8-10-20/h6-10,16-19,21-23,29H,11-15H2,1-5H3,(H,27,31)(H,28,32)(H,33,34)/t19-,21-,22-,23?/m0/s1.

What are the key properties of [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid?

[(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid has a molecular weight of 475.63 g/mol, XLogP of 3.54, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl]carbamic acid is sourced from PubChem (CID 118496591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).