Compound Identification
SMILES
COC(=O)[C@H](COC(=O)C1=CC=C(C=C1)[N+]([O-])=O)NC(=O)N(CCCl)N=O
InChIKey
InChIKey=ZJSXLCOPQQSOLE-NSHDSACASA-N
Formula
C14H15ClN4O8
Mass
402.74
Taxonomic Classification
Taxonomy Tree
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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
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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 - Alpha amino acids and derivatives - N-carbamoyl-alpha amino acids and derivatives
Direct Parent
N-carbamoyl-alpha amino acids
Alternative Parents
Alpha amino acid esters Nitrobenzoic acids and derivatives Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Nitrosoureas Dicarboxylic acids and derivatives Semicarbazides Nitrosamides Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organopnictogen compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - N-carbamoyl-alpha-amino acid - Nitrobenzoate - Benzoate ester - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Nitrosourea - Benzenoid - Nitrosamide - Semicarbazide - Methyl ester - Organic n-nitroso compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic nitroso compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Alkyl halide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors
Not available