benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate

C22H28N4O6S — CID 54343467

IUPACbenzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate
SMILESCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C(=O)OCc1ccccc1)C(=O)C1CSCN1
InChIInChI=1S/C22H28N4O6S/c1-2-6-16(25-19(28)15-9-10-18(27)24-15)20(29)26(21(30)17-12-33-13-23-17)22(31)32-11-14-7-4-3-5-8-14/h3-5,7-8,15-17,23H,2,6,9-13H2,1H3,(H,24,27)(H,25,28)/t15-,16-,17?/m0/s1
InChIKeyUAPIOADWSWABLL-PYNWJHIZSA-N
MW476.56 g/mol
LogP0.90
Rot. Bonds8

About benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate

benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate (PubChem CID 54343467) has the molecular formula C22H28N4O6S and a molecular weight of 476.56 g/mol. Its IUPAC name is benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate
PubChem CID54343467
Molecular FormulaC22H28N4O6S
Molecular Weight476.56 g/mol
Exact Mass476.17
IUPAC Namebenzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate
SMILESCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C(=O)OCc1ccccc1)C(=O)C1CSCN1
InChIInChI=1S/C22H28N4O6S/c1-2-6-16(25-19(28)15-9-10-18(27)24-15)20(29)26(21(30)17-12-33-13-23-17)22(31)32-11-14-7-4-3-5-8-14/h3-5,7-8,15-17,23H,2,6,9-13H2,1H3,(H,24,27)(H,25,28)/t15-,16-,17?/m0/s1
InChIKeyUAPIOADWSWABLL-PYNWJHIZSA-N
XLogP0.90
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate 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

benzyl 5-(dioctadecylamino)-5-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoate;benzyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 158933196
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
benzyl 1,3-thiazolidine-4-carboxylate;hydrochloride
CID 70055979
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
benzyl 5-amino-4-[[2-[[2-[[3-hydroxy-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoate
CID 3103062
benzyl (4S)-5-amino-4-[[(2S)-4-methyl-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]pentanoyl]amino]-5-oxopentanoate
CID 10056214
methyl 2-(1,3-thiazolidine-4-carbonylamino)butanoate
CID 119281420
(4R)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 102046659
5-oxo-N-[1-oxo-3-phenyl-1-(pyrrolidine-2-carbonylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 69292399
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
CID 22814959

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate?
The IUPAC name of benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate (CID 54343467) is benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate?
The canonical SMILES for benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate is CCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C(=O)OCc1ccccc1)C(=O)C1CSCN1.
What is the InChIKey of benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate?
The InChIKey is UAPIOADWSWABLL-PYNWJHIZSA-N. The full InChI is InChI=1S/C22H28N4O6S/c1-2-6-16(25-19(28)15-9-10-18(27)24-15)20(29)26(21(30)17-12-33-13-23-17)22(31)32-11-14-7-4-3-5-8-14/h3-5,7-8,15-17,23H,2,6,9-13H2,1H3,(H,24,27)(H,25,28)/t15-,16-,17?/m0/s1.
What are the key properties of benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate?
benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate has a molecular weight of 476.56 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]-N-(1,3-thiazolidine-4-carbonyl)carbamate is sourced from PubChem (CID 54343467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).