Compound Identification
SMILES
[B]OC(=O)[C@@H](O\N=C(/C(=O)C[C@H]1[C@H]2SCC(C[N+]34CCC(CNC(=O)C5=C(Cl)C(OCC6=CC=C(OC)C=C6)=C(OCC6=CC=C(OC)C=C6)C=C5)(CC3)CC4)=C(N2C1=O)C(=O)O[B])C1=CSC(C)=N1)C(C)C
InChIKey
InChIKey=RCSVRVBXKQQNLN-CUHUEMSNSA-O
Formula
C51H55B2ClN5O12S2
Mass
1051.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Cephems Benzamides Benzoyl derivatives Methoxybenzenes Anisoles Quinuclidines Phenoxy compounds Chlorobenzenes Alkyl aryl ethers 2,4-disubstituted thiazoles Aryl chlorides Dicarboxylic acids and derivatives 1,3-thiazines Piperidines Tertiary carboxylic acid amides Heteroaromatic compounds Tetraalkylammonium salts Vinylogous halides Secondary carboxylic acid amides Ketones Azetidines Thiohemiaminal derivatives Organic metalloid salts Azacyclic compounds Dialkylthioethers Organopnictogen compounds Amines Organic oxides Organochlorides Hydrocarbon derivatives Aldehydes Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Cephem - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Quinuclidine - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Meta-thiazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Heteroaromatic compound - Vinylogous halide - Beta-lactam - Thiazole - Tertiary carboxylic acid amide - Azole - Secondary carboxylic acid amide - Lactam - Ketone - Carboxamide group - Azetidine - Organic metalloid salt - Azacycle - Ether - Organoheterocyclic compound - Thioether - Hemithioaminal - Dialkylthioether - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Aldehyde - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available