methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

C32H43N5O4 — CID 146223963

About methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 146223963) has the molecular formula C32H43N5O4 and a molecular weight of 561.73 g/mol. Its IUPAC name is methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• PubChem CID: 146223963
• Molecular Formula: C32H43N5O4
• Molecular Weight: 561.73 g/mol
• Exact Mass: 561.33
• IUPAC Name: methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
• SMILES: COC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CCCN1C(=O)C(CC(C)C)(c2ccccc2)N=C1N)CC1CC1
• InChI: InChI=1S/C32H43N5O4/c1-22(2)21-32(25-13-8-5-9-14-25)29(39)37(30(33)36-32)18-10-15-26(19-24-16-17-24)34-28(38)27(35-31(40)41-3)20-23-11-6-4-7-12-23/h4-9,11-14,22,24,26-27H,10,15-21H2,1-3H3,(H2,33,36)(H,34,38)(H,35,40)/t26?,27-,32?/m0/s1
• InChIKey: CYTJTYWXIZUJGA-FWZTVYMJSA-N
• XLogP: 4.12
• TPSA: 126.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.73
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The IUPAC name of methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 146223963) is methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.

What is the SMILES notation for methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The canonical SMILES for methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is COC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(CCCN1C(=O)C(CC(C)C)(c2ccccc2)N=C1N)CC1CC1.

What is the InChIKey of methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

The InChIKey is CYTJTYWXIZUJGA-FWZTVYMJSA-N. The full InChI is InChI=1S/C32H43N5O4/c1-22(2)21-32(25-13-8-5-9-14-25)29(39)37(30(33)36-32)18-10-15-26(19-24-16-17-24)34-28(38)27(35-31(40)41-3)20-23-11-6-4-7-12-23/h4-9,11-14,22,24,26-27H,10,15-21H2,1-3H3,(H2,33,36)(H,34,38)(H,35,40)/t26?,27-,32?/m0/s1.

What are the key properties of methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate?

methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 561.73 g/mol, XLogP of 4.12, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2S)-1-[[5-[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]-1-cyclopropylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 146223963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).