SUI

(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACID

Created: 2001-08-20
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of SUI

Chemical Component Summary

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
FormulaC6 H8 N2 O4
Molecular Weight172.139
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1N(C(=O)CC1N)CC(=O)O
SMILESCACTVS3.341N[CH]1CC(=O)N(CC(O)=O)C1=O
SMILESOpenEye OEToolkits1.5.0C1C(C(=O)N(C1=O)CC(=O)O)N
Canonical SMILESCACTVS3.341 N[C@H]1CC(=O)N(CC(O)=O)C1=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@@H](C(=O)N(C1=O)CC(=O)O)N
InChIInChI1.03 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
InChIKeyInChI1.03 DXYLVSIXCGPUHP-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 49867690