Compound Identification
SMILES
CC(C)[C@H](NC1=NCCN1C)C(=O)N1CCC[C@H]1C1=NC=C(N1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CN=C(N1)[C@@H]1CCCN1C(=O)[C@H](C(C)C)N(C)C(O)=O
InChIKey
InChIKey=DQBNCXPPARMJAF-ZYADHFCISA-N
Formula
C42H54N10O4
Mass
762.96
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
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Valine 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
Valine and derivatives
Alternative Parents
Alpha amino acid amides Biphenyls and derivatives Phenylimidazoles N-acylpyrrolidines Tertiary carboxylic acid amides Imidazolines Heteroaromatic compounds Carbamic acids Guanidines Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Biphenyl - 5-phenylimidazole - 4-phenylimidazole - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Azole - 2-imidazoline - Heteroaromatic compound - Pyrrolidine - Imidazole - Tertiary carboxylic acid amide - Carbamic acid - Carbamic acid derivative - Guanidine - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available