methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate

C24H37N3O5 — CID 73350627

IUPACmethyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C24H37N3O5/c1-15(2)12-18(24(31)32-6)25-22(29)20(21(28)17-10-8-7-9-11-17)27-14-26(5)19(23(27)30)13-16(3)4/h7-11,15-16,18-21,28H,12-14H2,1-6H3,(H,25,29)/t18-,19-,20+,21-/m0/s1
InChIKeyZZRUVSQGSZKOFK-BURNTYAHSA-N
MW447.58 g/mol
LogP1.94
Rot. Bonds10

About methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate

methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate (PubChem CID 73350627) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate
PubChem CID73350627
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Namemethyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C24H37N3O5/c1-15(2)12-18(24(31)32-6)25-22(29)20(21(28)17-10-8-7-9-11-17)27-14-26(5)19(23(27)30)13-16(3)4/h7-11,15-16,18-21,28H,12-14H2,1-6H3,(H,25,29)/t18-,19-,20+,21-/m0/s1
InChIKeyZZRUVSQGSZKOFK-BURNTYAHSA-N
XLogP1.94
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate (CID 73350627) is methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate is COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O.
What is the InChIKey of methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate?
The InChIKey is ZZRUVSQGSZKOFK-BURNTYAHSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-15(2)12-18(24(31)32-6)25-22(29)20(21(28)17-10-8-7-9-11-17)27-14-26(5)19(23(27)30)13-16(3)4/h7-11,15-16,18-21,28H,12-14H2,1-6H3,(H,25,29)/t18-,19-,20+,21-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate?
methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate has a molecular weight of 447.58 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 73350627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).