Compound Identification
SMILES
C[C@@H](N1CCNc2cc(Oc3cccc(c3)[N+]([O-])=O)ccc2S1)C(=O)NO
InChIKey
InChIKey=HQRCRSUNHDSZOA-LLVKDONJSA-N
Formula
C17H18N4O5S
Mass
390.41
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 Alanine and derivatives
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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
Alanine and derivatives
Alternative Parents
Nitrobenzenes Phenol ethers Nitroaromatic compounds Secondary alkylarylamines Hydroxamic acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organosulfenic acid amides Ethers Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alanine or derivatives - Nitrobenzene - Nitroaromatic compound - Phenol ether - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Hydroxamic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organosulfenic acid amide - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available