Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)C1=CSC(NC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=N1
InChIKey
InChIKey=IHFZSFMOJYFAHV-AFVQXSJXSA-N
Formula
C35H31N5O7S2
Mass
697.78
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
- Level 5 Peptides
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Not available
Direct Parent
Peptides
Alternative Parents
Cephalosporin 3'-esters N-acyl-alpha amino acids Alpha amino acid amides Thia fatty acids Secondary alkylarylamines 2,4-disubstituted thiazoles N-acyl amines Dicarboxylic acids and derivatives Benzene and substituted derivatives 1,3-thiazines Tertiary carboxylic acid amides N,S-acetals Heteroaromatic compounds Oxime ethers Carboxylic acid esters Azetidines Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboxylic acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - Alpha peptide - Cephalosporin - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Alpha-amino acid or derivatives - Cephem - Thia fatty acid - Secondary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Fatty acyl - Benzenoid - N-acyl-amine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Meta-thiazine - Heteroaromatic compound - N,s-acetal - Thiazole - Tertiary carboxylic acid amide - Beta-lactam - Azole - Amino acid - Oxime ether - Lactam - Carboxylic acid ester - Carboxamide group - Azetidine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Secondary amine - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
External Descriptors
Not available