About (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
(2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 73351798) has the molecular formula C15H26N4O4S
and a molecular weight of 358.46 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
Molecular Properties
| Compound Name | (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide |
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| PubChem CID | 73351798 |
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| Molecular Formula | C15H26N4O4S |
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| Molecular Weight | 358.46 g/mol |
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| Exact Mass | 358.17 |
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| IUPAC Name | (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide |
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| SMILES | CCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCSC)C(N)=O |
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| InChI | InChI=1S/C15H26N4O4S/c1-3-4-10(19-15(23)11-5-6-12(20)17-11)14(22)18-9(13(16)21)7-8-24-2/h9-11H,3-8H2,1-2H3,(H2,16,21)(H,17,20)(H,18,22)(H,19,23)/t9-,10+,11+/m1/s1 |
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| InChIKey | FRUBYTZRMHYTQP-VWYCJHECSA-N |
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| XLogP | -0.73 |
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| TPSA | 130.39 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 24 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 358.46 |
| LogP ≤ 5 | -0.73 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 73351798) is (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is CCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](CCSC)C(N)=O.
What is the InChIKey of (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FRUBYTZRMHYTQP-VWYCJHECSA-N. The full InChI is InChI=1S/C15H26N4O4S/c1-3-4-10(19-15(23)11-5-6-12(20)17-11)14(22)18-9(13(16)21)7-8-24-2/h9-11H,3-8H2,1-2H3,(H2,16,21)(H,17,20)(H,18,22)(H,19,23)/t9-,10+,11+/m1/s1.
What are the key properties of (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of -0.73, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 73351798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).