Moligand™, powder Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
Phleomycin is a glycopeptide antibiotic and is a member of the bleomycin family.Phleomycin fromStreptomyces verticillushas been used as an antibiotic in the screening of transformants ofTrypanosoma brucei. It has also been used as an antibiotic in the maintenance ofEscherichia coli.
| Canonical Smiles | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)(C)OC4C(C(C(C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O |
|---|---|
| IUPAC Name | 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-oxobutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide |
| InChIKey | QRBLKGHRWFGINE-UHFFFAOYSA-N |
| INCHI | 1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68) |
| Isomeric SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)(C)OC4C(C(C(C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O |
| Molecular Weight | 1525.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Peptidomimetics |
| Subclass | Hybrid peptides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hybrid glycopeptides |
| Alternative Parents | Histidine and derivatives Fatty acyl glycosides of mono- and disaccharides N-acyl-alpha amino acids and derivatives Gamma amino acids and derivatives Alpha amino acid amides O-glycosyl compounds Disaccharides Beta amino acids and derivatives Pyrimidinecarboxylic acids and derivatives Thiazolecarboxamides 2-heteroaryl carboxamides Aralkylamines Aminopyrimidines and derivatives 2,4-disubstituted thiazoles Oxanes N-acyl amines Imidolactams 1,3-dicarbonyl compounds Thiazolines Tertiary alcohols Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Ketones Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Dialkylamines Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hybrid glycopeptide - Histidine or derivatives - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - N-acyl-alpha amino acid or derivatives - Gamma amino acid or derivatives - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - Disaccharide - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Aralkylamine - Aminopyrimidine - 2,4-disubstituted 1,3-thiazole - Fatty acyl - Imidolactam - 1,3-dicarbonyl compound - Pyrimidine - Oxane - N-acyl-amine - Fatty amide - Heteroaromatic compound - Meta-thiazoline - Thiazole - Tertiary alcohol - Imidazole - Azole - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Polyol - Secondary aliphatic amine - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hybrid glycopeptides. These are compounds containing a carbohydrate component linked to a hybrid peptide component. |
| External Descriptors | Not available |
| Molecular Weight | 1326.400 g/mol |
|---|---|
| XLogP3 | -10.200 |
| Hydrogen Bond Donor Count | 20 |
| Hydrogen Bond Acceptor Count | 31 |
| Rotatable Bond Count | 31 |
| Exact Mass | 1325.48 Da |
| Monoisotopic Mass | 1325.48 Da |
| Topological Polar Surface Area | 702.000 Ų |
| Heavy Atom Count | 91 |
| Formal Charge | 0 |
| Complexity | 2650.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 19 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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