tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate

C25H42N4O6 — CID 16746554

IUPACtert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate
SMILESCC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H42N4O6/c1-14(2)11-16(22(32)34-24(5,6)7)28-20(30)18-19(27-13-26-18)21(31)29-17(12-15(3)4)23(33)35-25(8,9)10/h13-17H,11-12H2,1-10H3,(H,26,27)(H,28,30)(H,29,31)/t16-,17-/m0/s1
InChIKeyIYOIJJWKFIBBFC-IRXDYDNUSA-N
MW494.63 g/mol
LogP3.38
Rot. Bonds10

About tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate

tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate (PubChem CID 16746554) has the molecular formula C25H42N4O6 and a molecular weight of 494.63 g/mol. Its IUPAC name is tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate
PubChem CID16746554
Molecular FormulaC25H42N4O6
Molecular Weight494.63 g/mol
Exact Mass494.31
IUPAC Nametert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate
SMILESCC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C25H42N4O6/c1-14(2)11-16(22(32)34-24(5,6)7)28-20(30)18-19(27-13-26-18)21(31)29-17(12-15(3)4)23(33)35-25(8,9)10/h13-17H,11-12H2,1-10H3,(H,26,27)(H,28,30)(H,29,31)/t16-,17-/m0/s1
InChIKeyIYOIJJWKFIBBFC-IRXDYDNUSA-N
XLogP3.38
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.63
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate?
The IUPAC name of tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate (CID 16746554) is tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate.
What is the SMILES notation for tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate?
The canonical SMILES for tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate is CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate?
The InChIKey is IYOIJJWKFIBBFC-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H42N4O6/c1-14(2)11-16(22(32)34-24(5,6)7)28-20(30)18-19(27-13-26-18)21(31)29-17(12-15(3)4)23(33)35-25(8,9)10/h13-17H,11-12H2,1-10H3,(H,26,27)(H,28,30)(H,29,31)/t16-,17-/m0/s1.
What are the key properties of tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate?
tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate has a molecular weight of 494.63 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-methyl-2-[[4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate is sourced from PubChem (CID 16746554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).