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Cefilavancin , Bacterial penicillin-binding protein inhibitor, CAS No.722454-12-8, Bacterial penicillin-binding protein inhibitor
Basic Description
Synonyms
Cefilavancin | Vancomycin, 26-(((3-(((Z)-(1-(2-amino-5-chloro-4-thiazolyl)-2-(((6R,7R)-2-carboxy-8-oxo-3-(pyridiniomethyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxoethylidene)amino)oxy)propyl)amino)carbonyl)-26-decarboxy- | UNII-F76229E21M | HY
Action Type
INHIBITOR
Mechanism of action
Bacterial penicillin-binding protein inhibitor
Taxonomic Classification
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
Oligopeptides
Alternative Parents
Cyclic peptides Aminoglycosides Cephalosporins Phenolic glycosides Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Diarylethers O-glycosyl compounds Disaccharides 2,4,5-trisubstituted thiazoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Primary aromatic amines Aryl chlorides Pyridinium derivatives Oxanes 1,3-thiazines 2-amino-1,3-thiazoles N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Primary carboxylic acid amides 1,2-aminoalcohols Azetidines Amino acids Carboxylic acid salts Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Polyols Dialkylamines Dialkylthioethers Oxacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Acetals Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions Organochlorides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-oligopeptide - Cyclic alpha peptide - Aminoglycoside core - Phenolic glycoside - Cephalosporin - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Disaccharide - Diaryl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Cephem - 2,4,5-trisubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino saccharide - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Primary aromatic amine - N-acyl-amine - Benzenoid - Meta-thiazine - Oxane - Fatty amide - Fatty acyl - Pyridinium - Pyridine - Azole - Tertiary carboxylic acid amide - Beta-lactam - Heteroaromatic compound - Thiazole - 1,2-aminoalcohol - Amino acid - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Primary carboxylic acid amide - Polyol - Monocarboxylic acid or derivatives - Secondary amine - Ether - Oxacycle - Thioether - Secondary aliphatic amine - Hemithioaminal - Azacycle - Dialkylthioether - Carboxylic acid - Acetal - Organoheterocyclic compound - Amine - Carbonyl group - Organic salt - Alcohol - Organopnictogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Primary amine - Primary alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(6R,7R)-7-[[(2Z)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-[3-[[(1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichl
INCHI
InChI=1S/C87H95Cl3N16O28S2/c1-33(2)20-45(94-5)74(117)100-62-66(112)36-11-14-49(43(88)22-36)130-51-24-38-25-52(70(51)134-85-71(69(115)68(114)53(31-107)132-85)133-55-29-87(4,93)72(116)34(3)129-55)131-50-15-12-37(23-44(50)89)67(113)63-81(124)99-59(42-26-40(1
InChIKey
OGUAFUAJSPORAH-KHCCTVBNSA-N
Smiles
CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)NCCCON=C(C1=C(SC(=N1)N)Cl)C(=O)NC1C2N(C1=O)C(=C(CS2)C[N+]1=CC=CC=C1)C(=O)[O-])CC(=O)N)NC(=O)C(C
Isomeric SMILES
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)NCCCO/N=C(/C1=C(SC(=N1)N)Cl)\C(=O)N[C@H]1[C@@H]2N(C1=O)C(=C(CS2)C[N+]1=CC=CC=C1)C(=O)[O-])CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
PubChem CID
76960417
Molecular Weight
1983.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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