(2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide

About (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide

(2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide (PubChem CID 22883897) has the molecular formula C32H48N4O2Si and a molecular weight of 548.85 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide.

Molecular Properties

Compound Name	(2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide
PubChem CID	22883897
Molecular Formula	C32H48N4O2Si
Molecular Weight	548.85 g/mol
Exact Mass	548.35
IUPAC Name	(2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide
SMILES	CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)Cc1ccccc1)c1ncc[nH]1
InChI	InChI=1S/C32H48N4O2Si/c1-23(2)29(30-34-18-19-35-30)36-31(37)26(20-24-14-10-8-11-15-24)22-28(38-39(6,7)32(3,4)5)27(33)21-25-16-12-9-13-17-25/h8-19,23,26-29H,20-22,33H2,1-7H3,(H,34,35)(H,36,37)/t26-,27+,28+,29+/m1/s1
InChIKey	DEHCGXMBOBFWPZ-VVZGZWEYSA-N
XLogP	6.43
TPSA	93.03 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	13
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.85
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide?

The IUPAC name of (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide (CID 22883897) is (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide.

What is the SMILES notation for (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide?

The canonical SMILES for (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide is CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)Cc1ccccc1)c1ncc[nH]1.

What is the InChIKey of (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide?

The InChIKey is DEHCGXMBOBFWPZ-VVZGZWEYSA-N. The full InChI is InChI=1S/C32H48N4O2Si/c1-23(2)29(30-34-18-19-35-30)36-31(37)26(20-24-14-10-8-11-15-24)22-28(38-39(6,7)32(3,4)5)27(33)21-25-16-12-9-13-17-25/h8-19,23,26-29H,20-22,33H2,1-7H3,(H,34,35)(H,36,37)/t26-,27+,28+,29+/m1/s1.

What are the key properties of (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide?

(2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide has a molecular weight of 548.85 g/mol, XLogP of 6.43, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S,5S)-5-amino-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S)-1-(1H-imidazol-2-yl)-2-methylpropyl]-6-phenylhexanamide is sourced from PubChem (CID 22883897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).