Compound Identification
SMILES
N[C@@H](CC(O)=O)C(=O)NCCCCC(=O)N(C[C@H]1CN(C(=O)O1)C1=CC=C(C=C1)N1CCOCC1=O)C(=O)C1=CC=C(Cl)S1
InChIKey
InChIKey=YRHCERBUQGLNPD-UXHICEINSA-N
Formula
C28H32ClN5O9S
Mass
650.1
Taxonomic Classification
Taxonomy Tree
-
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
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
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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
Aspartic acid and derivatives
Alternative Parents
Phenylmorpholines Alpha amino acid amides Thiophene carboxamides 2,5-disubstituted thiophenes Oxazolidinones Aryl chlorides Benzene and substituted derivatives N-substituted carboxylic acid imides N-acyl amines Tertiary carboxylic acid amides Carbamate esters Dicarboximides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Lactams Dialkyl ethers Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - Alpha-amino acid amide - Phenylmorpholine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Morpholine - N-acyl-amine - Carboxylic acid imide, n-substituted - Oxazinane - Oxazolidinone - Benzenoid - Fatty acyl - Tertiary carboxylic acid amide - Dicarboximide - Heteroaromatic compound - Thiophene - Carboxylic acid imide - Oxazolidine - Carbamic acid ester - Lactam - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Azacycle - Primary amine - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available