Compound Identification
SMILES
COC1=CC=CC=C1C(=O)N[C@@]1(OC)[C@H]2OCC(CSC3=NN=CN3CC(O)=O)=C(N2C1=O)C(=O)OCC1=CC=CC(C)=C1
InChIKey
InChIKey=PDFLMEOJDBZIJL-PXJZQJOASA-N
Formula
C29H29N5O9S
Mass
623.64
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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 Oxacephems Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Toluenes Alkylarylthioethers Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Triazoles Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Oxacyclic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Benzyloxycarbonyl - Oxacephem - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Aryl thioether - Benzoyl - Anisole - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Enoate ester - 1,2,4-triazole - Lactam - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid - Carboxylic acid ester - Azetidine - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid - Ether - Organic oxygen compound - Amine - Organic oxide - Organosulfur compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - 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