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Quinomycin B

CAT: 0013-GTR19256340-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256340-01Size:50 mg
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Description
Quinomycin B exhibits significant activity against Gram-positive bacteria and HeLa cells, and it is also effective against certain Gram-negative bacteria. Additionally, Quinomycin B provides protective effects in mice inoculated with the poliovirus.
CAS Number
13602-52-3
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) CC) C (SC) SC2) C) C (C) CC) C) C5=NC6=CC=CC=C6N=C5
Molecular Formula
C53H68N12O12S2
Molecular Weight
1129.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quinomycin B

Quinomycin B has been reported in Streptomyces with data available.

CAS Number13602-52-3
PubChem CID3038037
IUPAC NameN-[11,24-di(butan-2-yl)-2,4,12,15,17,25-hexamethyl-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 FormulaC53H68N12O12S2
Molecular Weight1129.3
XLogP3.5
Topological Polar Surface Area352
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count79
Formal Charge0
Complexity2240
SMILES
CCC(C)C1C(=O)OCC(C(=O)NC(C(=O)N(C2C(SCC(C(=O)N1C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)CC)NC(=O)C3=NC4=CC=CC=C4N=C3)C)C)SC)C)C)NC(=O)C5=NC6=CC=CC=C6N=C5
InChI
InChI=1S/C53H68N12O12S2/c1-12-27(3)40-51(74)76-24-38(61-44(67)36-23-55-32-19-15-17-21-34(32)59-36)46(69)57-30(6)48(71)65(10)42-50(73)64(9)41(28(4)13-2)52(75)77-25-37(60-43(66)35-22-54-31-18-14-16-20-33(31)58-35)45(68)56-29(5)47(70)62(7)39(49(72)63(40)8)26-79-53(42)78-11/h14-23,27-30,37-42,53H,12-13,24-26H2,1-11H3,(H,56,68)(H,57,69)(H,60,66)(H,61,67)
InChIKey
RDXUWMJKBKETFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinomycin B
CAS: 13602-52-3
CID: 3038037
Formula: C53H68N12O12S2
MW: 1129.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1129.3
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass1128.45210800
Monoisotopic Mass1128.45210800
Topological Polar Surface Area352 Ų
Heavy Atom Count79
Formal Charge0
Complexity2240
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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