Compound Identification
SMILES
CCC1=NC(COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@H](O)CN2CCN(CC3=CC(OC)=C(OC)C=C3)C[C@H]2C(=O)NC(C)(C)C)=CS1
InChIKey
InChIKey=YOVXONQNZWCZCK-GSFCIGPDSA-N
Formula
C40H58N6O7S
Mass
767.0
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 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 Phenylbutylamines Amphetamines and derivatives Dimethoxybenzenes Piperazine carboxamides Anisoles Phenylmethylamines Phenoxy compounds Benzylamines 2,4-disubstituted thiazoles Alkyl aryl ethers Aralkylamines N-alkylpiperazines N-acyl amines Heteroaromatic compounds Carbamate esters 1,2-aminoalcohols Secondary alcohols Secondary carboxylic acid amides Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Phenylbutylamine - Dimethoxybenzene - O-dimethoxybenzene - Amphetamine or derivatives - Piperazine-2-carboxamide - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenoxy compound - Phenylmethylamine - N-alkylpiperazine - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - 1,4-diazinane - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Piperazine - Carbamic acid ester - Thiazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - 1,2-aminoalcohol - Organoheterocyclic compound - Azacycle - Ether - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen 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