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Quinomycin C

CAT: 0013-GTR19254746-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254746-02Size:50 mg
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Description
Quinomycin C exhibits potent activity against Gram-positive bacteria and HeLa cells, and it also affects certain Gram-negative bacteria. Additionally, Quinomycin B provides protective effects in mice inoculated with the poliovirus.
CAS Number
11001-74-4
Field of Research
Infectious Disease & Virology
Smiles
O=C (NC1C (=O) NC (C (=O) N (C) C2C (=O) N (C) C (C (=O) OCC (NC (=O) C3=NC4=CC=CC=C4N=C3) C (=O) NC (C (=O) N (C) C (C (=O) N (C) C (C (=O) OC1) C (C) C (C) C) C (SC) SC2) C) C (C) C (C) C) C) C5=NC6=CC=CC=C6N=C5
Molecular Formula
C55H72N12O12S2
Molecular Weight
1157.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antibiotic U 48160

Quinomycin C has been reported in Streptomyces echinatus with data available.

CAS Number11001-74-4
PubChem CID197124
IUPAC NameN-[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
Molecular FormulaC55H72N12O12S2
Molecular Weight1157.4
XLogP4.3
Topological Polar Surface Area352
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count81
Formal Charge0
Complexity2300
SMILES
CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C
InChI
InChI=1S/C55H72N12O12S2/c1-27(2)29(5)42-53(76)78-24-40(63-46(69)38-23-57-34-19-15-17-21-36(34)61-38)48(71)59-32(8)50(73)67(12)44-52(75)66(11)43(30(6)28(3)4)54(77)79-25-39(62-45(68)37-22-56-33-18-14-16-20-35(33)60-37)47(70)58-31(7)49(72)64(9)41(51(74)65(42)10)26-81-55(44)80-13/h14-23,27-32,39-44,55H,24-26H2,1-13H3,(H,58,70)(H,59,71)(H,62,68)(H,63,69)
InChIKey
WNYOPINACXXCOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antibiotic U 48160
CAS: 11001-74-4
CID: 197124
Formula: C55H72N12O12S2
MW: 1157.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1157.4
XLogP34.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass1156.48340813
Monoisotopic Mass1156.48340813
Topological Polar Surface Area352 Ų
Heavy Atom Count81
Formal Charge0
Complexity2300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
Q007-1MGQuinomycin A
HY-N14571Quinomycin B
HY-N14916Quinomycin C
S7945-01Echinomycin (Quinomycin A)
Q1101Quinomycin A (Echinomycin, Actinoleukin, Antibiotic 1491, Antibiotic 59266, Antibiotic X 948, Antibiotic X 53III)

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