(4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

C35H50N4O6S — CID 53326148

IUPAC(4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](O)c2ccccc2)C(C)(C)C)CSC1(C)C
InChIInChI=1S/C35H50N4O6S/c1-33(2,3)20-36-31(44)28-35(7,8)46-21-39(28)32(45)26(41)24(19-22-15-11-9-12-16-22)37-30(43)27(34(4,5)6)38-29(42)25(40)23-17-13-10-14-18-23/h9-18,24-28,40-41H,19-21H2,1-8H3,(H,36,44)(H,37,43)(H,38,42)/t24-,25+,26-,27+,28+/m0/s1
InChIKeyUWTRJVWPXJVOPM-UZINISAASA-N
MW654.87 g/mol
LogP3.18
Rot. Bonds11

About (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

(4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 53326148) has the molecular formula C35H50N4O6S and a molecular weight of 654.87 g/mol. Its IUPAC name is (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID53326148
Molecular FormulaC35H50N4O6S
Molecular Weight654.87 g/mol
Exact Mass654.35
IUPAC Name(4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](O)c2ccccc2)C(C)(C)C)CSC1(C)C
InChIInChI=1S/C35H50N4O6S/c1-33(2,3)20-36-31(44)28-35(7,8)46-21-39(28)32(45)26(41)24(19-22-15-11-9-12-16-22)37-30(43)27(34(4,5)6)38-29(42)25(40)23-17-13-10-14-18-23/h9-18,24-28,40-41H,19-21H2,1-8H3,(H,36,44)(H,37,43)(H,38,42)/t24-,25+,26-,27+,28+/m0/s1
InChIKeyUWTRJVWPXJVOPM-UZINISAASA-N
XLogP3.18
TPSA148.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.87
LogP ≤ 53.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-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

(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CID 46238530
(4R)-3-[(2S,3S)-3-[[(2S)-2-[[2-(butanoylamino)-2-(3,4,5-trifluorophenyl)acetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-(2,2-dimethylpropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CID 118718114
(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-(cyclopropylmethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CID 44560468
methyl N-[(1S)-2-[[(2S)-1-[[(2S,3S)-4-[(4R)-4-[(tert-butylamino)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxo-1-phenylethyl]carbamate
CID 54580259
3-[2-hydroxy-4-phenyl-3-[(2,2,2-trifluoroacetyl)amino]butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 21042507
N-benzyl-3-[3-(benzylcarbamoylamino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CID 21043034
3-[(2S,3S)-2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 69423868
(4S)-3-[(2S,3S)-2-hydroxy-3-(2-methylbutanoylamino)-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 10230016
tert-butyl N-[4-[4-(benzylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 21043096
3-[2-hydroxy-4-phenyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 21042500
(4R)-3-[(2S,3S)-2-hydroxy-4-phenyl-3-(propan-2-ylcarbamoylamino)butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 514783
(4R)-3-[(2S,3S)-3-(benzoylcarbamoylamino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 58682246

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide (CID 53326148) is (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is CC(C)(C)CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](O)c2ccccc2)C(C)(C)C)CSC1(C)C.
What is the InChIKey of (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is UWTRJVWPXJVOPM-UZINISAASA-N. The full InChI is InChI=1S/C35H50N4O6S/c1-33(2,3)20-36-31(44)28-35(7,8)46-21-39(28)32(45)26(41)24(19-22-15-11-9-12-16-22)37-30(43)27(34(4,5)6)38-29(42)25(40)23-17-13-10-14-18-23/h9-18,24-28,40-41H,19-21H2,1-8H3,(H,36,44)(H,37,43)(H,38,42)/t24-,25+,26-,27+,28+/m0/s1.
What are the key properties of (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 654.87 g/mol, XLogP of 3.18, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,2-dimethylpropyl)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 53326148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).