SUI
(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID
Created: | 2001-08-20 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 1 |
Bond Count | 20 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID |
Systematic Name (OpenEye OEToolkits) | 2-[(3S)-3-amino-2,5-dioxo-pyrrolidin-1-yl]ethanoic acid |
Formula | C6 H8 N2 O4 |
Molecular Weight | 172.139 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N(C(=O)CC1N)CC(=O)O |
SMILES | CACTVS | 3.341 | N[CH]1CC(=O)N(CC(O)=O)C1=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(=O)N(C1=O)CC(=O)O)N |
Canonical SMILES | CACTVS | 3.341 | N[C@H]1CC(=O)N(CC(O)=O)C1=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C1[C@@H](C(=O)N(C1=O)CC(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C6H8N2O4/c7-3-1-4(9)8(6(3)12)2-5(10)11/h3H,1-2,7H2,(H,10,11)/t3-/m0/s1 |
InChIKey | InChI | 1.03 | DXYLVSIXCGPUHP-VKHMYHEASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867690 |