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Kistamicin B

CAT: 0013-GTR19255678-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255678-01Size:10 mg
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Description
Kistamicin B exhibits antiviral properties, with ID50 values against influenza virus in MDCK cells and herpes simplex virus being 1.8 μg/mL and 30 μg/mL, respectively.
CAS Number
155683-51-5
Field of Research
Infectious Disease & Virology
Smiles
OC1=C2C=3C=C4C (=CC3) C (=CN4) C[C@@H] (NC ([C@@H] (CC5=CC=C (O) C=C5) NC (NCCC6=CC=CC=C6) =O) =O) C (=O) N[C@@H] (C (=O) N[C@@]7 (C (=C2) C=C1OC=8C=CC (=CC8) C[C@@]9 (NC (=O) [C@] (NC7=O) (C=%10C=C (Cl) C (=CC%10) OC=%11C=C ([C@H] (C (O) =O) NC9=O) C=CC%11O) [H]) [H]) [H]) C%12=CC (O) =CC (O) =C%12
Molecular Formula
C70H60ClN9O16
Molecular Weight
1318.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Kistamicin B

Kistamicin B is an oligopeptide.

CAS Number155683-51-5
PubChem CID17748669
IUPAC Name34-chloro-25-(3,5-dihydroxyphenyl)-38,51-dihydroxy-22-[[3-(4-hydroxyphenyl)-2-(2-phenylethylcarbamoylamino)propanoyl]amino]-23,26,29,44,46-pentaoxo-7,36-dioxa-18,24,27,30,43,45-hexazanonacyclo[29.13.2.23,6.232,35.18,12.113,17.137,41.010,28.016,20]tripentaconta-3(53),4,6(52),8,10,12(51),13(50),14,16,19,32,34,37,39,41(47),48-hexadecaene-42-carboxylic acid
Molecular FormulaC70H60ClN9O16
Molecular Weight1318.7
XLogP7.6
Topological Polar Surface Area388
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Heavy Atom Count96
Formal Charge0
Complexity2730
SMILES
C1C2C(=O)NC(C3=CC(=C(C=C3)O)OC4=C(C=C(C=C4)C(C(=O)N2)NC(=O)C5C6=CC(=C(C(=C6)OC7=CC=C1C=C7)O)C8=CC9=C(C=C8)C(=CN9)CC(C(=O)NC(C(=O)N5)C1=CC(=CC(=C1)O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)NCCC1=CC=CC=C1)Cl)C(=O)O
InChI
InChI=1S/C70H60ClN9O16/c71-49-27-38-12-19-55(49)96-56-30-39(11-18-54(56)84)61(69(92)93)80-64(87)51-22-36-8-15-46(16-9-36)95-57-31-41-26-48(62(57)85)37-10-17-47-42(33-73-50(47)28-37)29-53(74-63(86)52(23-35-6-13-43(81)14-7-35)76-70(94)72-21-20-34-4-2-1-3-5-34)65(88)77-59(40-24-44(82)32-45(83)25-40)67(90)79-60(41)68(91)78-58(38)66(89)75-51/h1-19,24-28,30-33,51-53,58-61,73,81-85H,20-23,29H2,(H,74,86)(H,75,89)(H,77,88)(H,78,91)(H,79,90)(H,80,87)(H,92,93)(H2,72,76,94)
InChIKey
ACUGLGSAQKAJRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kistamicin B
CAS: 155683-51-5
CID: 17748669
Formula: C70H60ClN9O16
MW: 1318.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1318.7
XLogP37.6
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count16
Rotatable Bond Count10
Exact Mass1317.3846546
Monoisotopic Mass1317.3846546
Topological Polar Surface Area388 Ų
Heavy Atom Count96
Formal Charge0
Complexity2730
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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