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

C24H37N3O5 — CID 73350628

IUPACmethyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]([C@@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O)C(=O)OC
InChIInChI=1S/C24H37N3O5/c1-7-16(4)19(24(31)32-6)25-22(29)20(21(28)17-11-9-8-10-12-17)27-14-26(5)18(23(27)30)13-15(2)3/h8-12,15-16,18-21,28H,7,13-14H2,1-6H3,(H,25,29)/t16-,18-,19-,20+,21-/m0/s1
InChIKeyCQUYQMVMOCPRIS-BWUHRYBWSA-N
MW447.58 g/mol
LogP1.94
Rot. Bonds10

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

methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate (PubChem CID 73350628) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate
PubChem CID73350628
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Namemethyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]([C@@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O)C(=O)OC
InChIInChI=1S/C24H37N3O5/c1-7-16(4)19(24(31)32-6)25-22(29)20(21(28)17-11-9-8-10-12-17)27-14-26(5)18(23(27)30)13-15(2)3/h8-12,15-16,18-21,28H,7,13-14H2,1-6H3,(H,25,29)/t16-,18-,19-,20+,21-/m0/s1
InChIKeyCQUYQMVMOCPRIS-BWUHRYBWSA-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,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate?
The IUPAC name of methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate (CID 73350628) is methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)[C@@H]([C@@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate?
The InChIKey is CQUYQMVMOCPRIS-BWUHRYBWSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-7-16(4)19(24(31)32-6)25-22(29)20(21(28)17-11-9-8-10-12-17)27-14-26(5)18(23(27)30)13-15(2)3/h8-12,15-16,18-21,28H,7,13-14H2,1-6H3,(H,25,29)/t16-,18-,19-,20+,21-/m0/s1.
What are the key properties of methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate?
methyl (2S,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-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,3S)-2-[[(2R,3S)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-methylpentanoate is sourced from PubChem (CID 73350628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).