Compound Identification
SMILES
OC(=O)C(CC1=CN=CN1)NC1=NC(=O)N=C(NC(CC2=CN=CN2)C(O)=O)N1
InChIKey
InChIKey=CMKDLXYCESEEPL-UHFFFAOYSA-N
Formula
C15H17N9O5
Mass
403.359
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Histidine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Histidine and derivatives
Alternative Parents
Imidazolyl carboxylic acids and derivatives Triazinones Secondary alkylarylamines N-aliphatic s-triazines Dicarboxylic acids and derivatives 1,3,5-triazines Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - Imidazolyl carboxylic acid derivative - Amino-1,3,5-triazine - Aminotriazine - Secondary aliphatic/aromatic amine - Triazinone - N-aliphatic s-triazine - Dicarboxylic acid or derivatives - Triazine - 1,3,5-triazine - Heteroaromatic compound - Azole - Imidazole - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid - Secondary amine - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available