Compound Identification
SMILES
NNC(=O)C1=CC=NC=C1.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(O)=O.CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=CC=CC=C1Cl
InChIKey
InChIKey=VLTXTFRSGUZHND-GZWHKQFISA-N
Formula
C41H44ClN9O11S2
Mass
938.43
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
Peptides
- Level 6 Dipeptides
-
Level 5
Peptides
-
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
Peptides
Direct Parent
Dipeptides
Alternative Parents
Penicillins N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Pyridinecarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aralkylamines Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Carboxylic acid hydrazides Azetidines Amino acids Secondary carboxylic acid amides Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organochlorides Carbonyl compounds Monoalkylamines Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Pyridine carboxylic acid or derivatives - Penam - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Aralkylamine - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyridine - Aryl chloride - Isoxazole - Azole - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid hydrazide - Lactam - Secondary carboxylic acid amide - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Oxacycle - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Primary amine - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary aliphatic amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available