gamma-Glutamylaspartic acid
PubChem CID: 161197
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| Compound Synonyms | Glutamylaspartate, gamma-Glutamylaspartic acid, gamma-Glu-asp, 16804-55-0, LGLA, (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]butanedioic acid, gamma-l-glutamyl-l-aspartic acid, N-L-gamma-Glutamyl-L-aspartic acid, L-Aspartic acid, N-L-gamma-glutamyl-, 2-((4-Amino-4-carboxy-1-hydroxybutylidene)amino)butanedioate, 2-[(4-Amino-4-carboxy-1-hydroxybutylidene)amino]butanedioate, (2S)-2-(((4S)-4-amino-4-carboxybutanoyl)amino)butanedioic acid, 2-((4-amino-4-carboxy-1-hydroxybutylidene)amino)butanedioic acid, 2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]butanedioic acid, (2S)-2-(((4S)-4-amino-4-carboxy-1-hydroxybutylidene)amino)butanedioate, (2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}butanedioate, (2s)-2-(((4s)-4-amino-4-carboxy-1-hydroxybutylidene)amino)butanedioic acid, (2s)-2-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}butanedioic acid, I3-Glutamylaspartate, gamma-L-Glu-L-Asp, I3-Glu-Asp, gamma-Glutamylaspartate, N-I3-Glutamylaspartate, I3-L-Glu-L-Asp, I3-Glutamylaspartic acid, N-gamma-Glutamylaspartate, N-L-I3-Glutamylaspartate, NG-L-Glutamyl-L-aspartate, I3-L-Glutamyl-L-aspartate, L-I3-Glutamyl-L-aspartate, N-I3-Glutamylaspartic acid, N-L-gamma-Glutamylaspartate, gamma-l-glutamyl-l-aspartate, N-gamma-Glutamylaspartic acid, L-gamma-Glutamyl-L-Aspartate, N-L-I3-Glutamylaspartic acid, N-I3-L-Glutamyl-L-aspartate, N-L-I3-Glutamyl-L-aspartate, SCHEMBL6021265, I3-L-Glutamyl-L-aspartic acid, L-I3-Glutamyl-L-aspartic acid, N-gamma-L-Glutamyl-L-aspartate, N-L-gamma-Glutamyl-L-aspartate, N-L-gamma-Glutamylaspartic acid, DTXSID60937429, L-gamma-glutamyl-L-aspartic acid, CHEBI:169907, N-I3-L-Glutamyl-L-aspartic acid, N-L-I3-Glutamyl-L-aspartic acid, N-gamma-L-Glutamyl-L-aspartic acid, (S)-2-((S)-4-Amino-4-carboxybutanamido)succinic acid, N-(4-Amino-4-carboxy-1-hydroxybutylidene)aspartic acid |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 167.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Dipeptides |
| Deep Smiles | O=CN[C@H]C=O)O))CC=O)O)))))CC[C@@H]C=O)O))N |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Amino acids, peptides, and analogues |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]butanedioic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -4.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H14N2O7 |
| Inchi Key | JTJZAUVWVBUZAU-WHFBIAKZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| State | Solid |
| Synonyms | (2S)-2-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}butanedioate, γ-Glu-Asp, γ-L-Glu-L-Asp, γ-Glutamylaspartic acid, γ-L-Glutamyl-L-aspartic acid, γ-L-Glutamyl-L-aspartate, L-γ-Glutamyl-L-aspartic acid, L-γ-Glutamyl-L-aspartate, N-γ-Glutamylaspartic acid, N-γ-Glutamylaspartate, N-L-γ-Glutamylaspartic acid, N-L-γ-Glutamylaspartate, N-L-γ-Glutamyl-L-aspartic acid, N-L-γ-Glutamyl-L-aspartate, gamma-Glu-Asp, gamma-L-Glu-L-Asp, gamma-Glutamylaspartate, gamma-L-Glutamyl-L-aspartic acid, gamma-L-Glutamyl-L-aspartate, L-gamma-Glutamyl-L-aspartic acid, L-gamma-Glutamyl-L-aspartate, N-gamma-Glutamylaspartic acid, N-gamma-Glutamylaspartate, N-L-gamma-Glutamylaspartic acid, N-L-gamma-Glutamylaspartate, N-L-gamma-Glutamyl-L-aspartic acid, N-L-gamma-Glutamyl-L-aspartate, gamma-Glutamylaspartic acid, Glutamylaspartate, LGLA, Glu-asp, γ-Glutamylaspartate, N-γ-L-Glutamyl-L-aspartic acid, N-γ-L-Glutamyl-L-aspartate, N-gamma-L-Glutamyl-L-aspartic acid, N-gamma-L-Glutamyl-L-aspartate, NG-L-Glutamyl-L-aspartate, gamma-glutamylaspartic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)NC, CC(=O)O, CN |
| Compound Name | gamma-Glutamylaspartic acid |
| Kingdom | Organic compounds |
| Exact Mass | 262.08 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.08 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 262.22 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C9H14N2O7/c10-4(8(15)16)1-2-6(12)11-5(9(17)18)3-7(13)14/h4-5H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t4-,5-/m0/s1 |
| Smiles | C(CC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Dipeptides |
| Np Classifier Superclass | Small peptides |
- 1. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Reference:ISBN:9788171360536