Compound Identification
SMILES
COC1=C(OCC#N)C(I)=CC(C=NNC(=O)CN2CCOCC2)=C1
InChIKey
InChIKey=HPMLSCGGLOVDHB-UHFFFAOYSA-N
Formula
C16H19IN4O4
Mass
458.256
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Iodobenzenes Aryl iodides Morpholines Trialkylamines Oxacyclic compounds Nitriles Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Morpholine - Benzenoid - Oxazinane - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available