Compound Identification
SMILES
OC(=O)C1=CCS[C@H]2C(C(NC=O)SN3CN=CN=C3)C(=O)N12
InChIKey
InChIKey=GXGFLTQCVDOXKM-AMUVOQDHSA-N
Formula
C12H13N5O4S2
Mass
355.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Alpha amino acids and derivatives Cephems 1,3,5-triazines 1,3-thiazines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Formamidines Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Alpha-amino acid or derivatives - Cephem - Meta-thiazine - Triazine - 1,3,5-triazine - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Hemithioaminal - Thioether - Organoheterocyclic compound - Amidine - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Formamidine - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Imine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available