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

C27H35N3O5 — CID 71745718

IUPACmethyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C27H35N3O5/c1-18(2)15-22-26(33)30(17-29(22)3)23(24(31)20-13-9-6-10-14-20)25(32)28-21(27(34)35-4)16-19-11-7-5-8-12-19/h5-14,18,21-24,31H,15-17H2,1-4H3,(H,28,32)/t21-,22-,23-,24+/m0/s1
InChIKeyXVCCUGAXGDZMOX-NEWJYFPISA-N
MW481.59 g/mol
LogP2.14
Rot. Bonds10

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

methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate (PubChem CID 71745718) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate
PubChem CID71745718
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Namemethyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]([C@H](O)c1ccccc1)N1CN(C)[C@@H](CC(C)C)C1=O
InChIInChI=1S/C27H35N3O5/c1-18(2)15-22-26(33)30(17-29(22)3)23(24(31)20-13-9-6-10-14-20)25(32)28-21(27(34)35-4)16-19-11-7-5-8-12-19/h5-14,18,21-24,31H,15-17H2,1-4H3,(H,28,32)/t21-,22-,23-,24+/m0/s1
InChIKeyXVCCUGAXGDZMOX-NEWJYFPISA-N
XLogP2.14
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate (CID 71745718) is methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)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-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
The InChIKey is XVCCUGAXGDZMOX-NEWJYFPISA-N. The full InChI is InChI=1S/C27H35N3O5/c1-18(2)15-22-26(33)30(17-29(22)3)23(24(31)20-13-9-6-10-14-20)25(32)28-21(27(34)35-4)16-19-11-7-5-8-12-19/h5-14,18,21-24,31H,15-17H2,1-4H3,(H,28,32)/t21-,22-,23-,24+/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate has a molecular weight of 481.59 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S,3R)-3-hydroxy-2-[(4S)-3-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]-3-phenylpropanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 71745718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).