Basic information
- Standard SMILES
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O- InChIKey
OPVPGKGADVGKTG-UHFFFAOYSA-N- Molecular formula
- C11H16N2O8
- Average molar mass
- 304.25 g/mol
- Monoisotopic mass
- 304.09066547
Overview
2-[(2-acetamido-3-carboxy-1-oxopropyl)amino]pentanedioic acid is a peptide.
Names & identifiers
- Preferred name
- N-Acetyl-alpha-aspartylglutamic acid
- IUPAC
- 2-[(2-acetamido-3-carboxypropanoyl)amino]pentanedioic acid
Names & synonyms
DTXSID10863103N-Acetyl-alpha-aspartylglutamic acidRefChem:1091510DTXCID90212736N-Ac-D-EN-Acetyl-Asp-GluN-Acetyl-Aspartic Acid-glutamic acid-OHC11H16N2O8Spectrum2_001481Spectrum3_001845Ac-Asp-Glu * H2O2-[(2-acetamido-3-carboxy-1-oxopropyl)amino]pentanedioic acid
Show more names
Ac-Asp-Glu-OH * H2OCHEMBL64966SCHEMBL288515SPBio_001461CHEBI:95120KBio3_002730HMS3266K17PDE-4167
Database identifiers
- PubChem CID
- 5255
- DTXSID
DTXSID10863103- ChEMBL
CHEMBL64966- ChEBI
CHEBI:95120
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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