Compound Identification
SMILES
CC(C)CC(=O)N[C@@H](CC1=CN(C=N1)C(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C1=CC=CS1
InChIKey
InChIKey=VUCXORCGQULNHG-NFAPWKBDSA-N
Formula
C33H45N5O4S
Mass
607.81
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 Histidine 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
Histidine and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives N-acylimidazoles Aralkylamines Carbonylimidazoles N-acyl amines Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organic oxides Aromatic alcohols Hydrocarbon derivatives Monoalkylamines Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Histidine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - N-acylimidazole - Imidazole-1-carbonyl group - Aralkylamine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - N-substituted imidazole - N-acyl-amine - Heteroaromatic compound - Azole - Thiophene - Imidazole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Primary amine - Aromatic alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available