Compound Identification
SMILES
CCCOC1=CC=CC=C1C(=O)N[C@@]1(OC)[C@H]2OCC(CSC3=NN=NN3C)=C(N2C1=O)C(=O)OCC1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=OSWPBLXSKJTMBH-PXJZQJOASA-N
Formula
C29H30N6O9S
Mass
638.65
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Benzyloxycarbonyls Benzamides Benzoic acids Oxacephems Benzoyl derivatives Phenol ethers Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Enoate esters Tertiary carboxylic acid amides Tetrazoles Secondary carboxylic acid amides Amino acids Tertiary amines Azetidines Oxacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Benzamide - Benzoic acid or derivatives - Benzoic acid - Oxacephem - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Tetrazole - Tertiary carboxylic acid amide - Beta-lactam - Heteroaromatic compound - Azetidine - Amino acid - Tertiary amine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available