Indole-3-acetyl-L-aspartic acid

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Systematic / IUPAC Name: 2-[[2-(1H-Indol-3-yl)acetyl]amino]butanedioic acid

ID: Reference446

Other Names: Indolyl-3-aspartic acid;
L-Aspartic acid, N-(1H-indol-3-ylacetyl)-;
(Indoleacetyl)aspartic acid;
Indole-3-acetylasparaginic acid;
(Indole-3-acetyl)aspartic acid

Formula: C14H14N2O5

Spectral Data

Indole-3-acetyl-L-aspartic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 619
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/21/2015 8:25:40 AM
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Identificators

InChI InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1
InChI Key VAFNMNRKDDAKRM-NSHDSACASA-N
Canonical SMILES O=C(O)CC(C(=O)O)NC(=O)Cc2c1ccccc1nc2
CAS 2456737
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Other Names Indolyl-3-aspartic acid;
L-Aspartic acid, N-(1H-indol-3-ylacetyl)-;
(Indoleacetyl)aspartic acid;
Indole-3-acetylasparaginic acid;
(Indole-3-acetyl)aspartic acid;
3-Indolylacetyl-L-aspartic acid

In Other Databases

PubChem 446620
ChemSpider 393931
ChemIDPlus 002456737