Antibiotic U 48160
Basic information
- CAS
11001-74-4- Standard SMILES
CSC1SCC2C(=O)N(C)C(C(C)C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N(C)C1C(=O)N(C)C(C(C)C(C)C)C(=O)OCC(NC(=O)c1cnc3ccccc3n1)C(=O)NC(C)C(=O)N2C- InChIKey
WNYOPINACXXCOV-UHFFFAOYSA-N- Molecular formula
- C55H72N12O12S2
- Average molar mass
- 1,157.4 g/mol
- Monoisotopic mass
- 1,156.48340813
Overview
Quinomycin C has been reported in Streptomyces echinatus with data available.
Names & identifiers
- Preferred name
- Antibiotic U 48160
- IUPAC
- N-[2,4,12,15,17,25-hexamethyl-11,24-bis(3-methylbutan-2-yl)-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
- English name
- L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8→1)-lactone, cyclic (3→7)-thioether
- Molecular formula
- C55H72N12O12S2
- Molecular weight
- 1157.37
Names & synonyms
11001-74-4Antibiotic U 48160L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8-->1)-lactone, cyclic (3-->7)-thioetherBRN 1071168U 48160Quinomycin A, 4-(N,4-dimethyl-L-alloisoleucine)-8-(N,4-dimethyl-L-alloisoleucine)-orb3023126SCHEMBL29885558DTXSID201098018HY-N14916TN9931L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8a1)-lactone, cyclic (3a7)-thioether
Show more names
L-Alloisoleucine, N-(2-quinoxalinylcarbonyl)-O-[N-(2-quinoxalinylcarbonyl)-D-seryl-L-alanyl-3-mercapto-N,S-dimethylcysteinyl-N,4-dimethyl-L-alloisoleucyl]-D-seryl-L-alanyl-N-methylcysteinyl-N,4-dimethyl-, (8→1)-lactone, cyclic (3→7)-thioether
Database identifiers
- CAS
11001-74-4- PubChem CID
- 197124
- DTXSID
DTXSID201098018
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 352 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 81
- Formal charge
- 0
- Complexity
- 2,300
Physicochemical properties
- Boiling point
- 1418.6 · 1418.6±65.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.70(Predicted)
Chemistry & industry
Applications
DescriptionQuinomycin C is an antitumor antibiotic. It removes and reverses the supercoiling of closed circular duplex DNA from bacteriophage PM2 in the fashion characteristic of intercalating drugs.
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