(4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

C24H26N4O6 — CID 162410531

IUPAC(4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C24H26N4O6/c1-15(29)26-19(13-17-10-6-3-7-11-17)23(32)28-20(14-34-24(28)33)22(31)27-18(21(25)30)12-16-8-4-2-5-9-16/h2-11,18-20H,12-14H2,1H3,(H2,25,30)(H,26,29)(H,27,31)/t18-,19-,20-/m0/s1
InChIKeyVMAGALRWRRZDOF-UFYCRDLUSA-N
MW466.49 g/mol
LogP0.29
Rot. Bonds9

About (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 162410531) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID162410531
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name(4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C24H26N4O6/c1-15(29)26-19(13-17-10-6-3-7-11-17)23(32)28-20(14-34-24(28)33)22(31)27-18(21(25)30)12-16-8-4-2-5-9-16/h2-11,18-20H,12-14H2,1H3,(H2,25,30)(H,26,29)(H,27,31)/t18-,19-,20-/m0/s1
InChIKeyVMAGALRWRRZDOF-UFYCRDLUSA-N
XLogP0.29
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[[(4S)-3-[2-[[(4S)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 57328025
(4S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 56590691
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
(2S)-1-acetyl-N-[(2S)-1-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 71401022
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
benzyl 2-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3119491
benzyl (2S)-2-[[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 51420400
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(2S)-1-acetyl-N-[2-[(2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10127616
(2S,4R)-1-[(2S)-2-acetamido-2-cyclobutylacetyl]-N-[(2R)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 177375028
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide (CID 162410531) is (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is VMAGALRWRRZDOF-UFYCRDLUSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-15(29)26-19(13-17-10-6-3-7-11-17)23(32)28-20(14-34-24(28)33)22(31)27-18(21(25)30)12-16-8-4-2-5-9-16/h2-11,18-20H,12-14H2,1H3,(H2,25,30)(H,26,29)(H,27,31)/t18-,19-,20-/m0/s1.
What are the key properties of (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 0.29, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-acetamido-3-phenylpropanoyl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 162410531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).